Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T16117 | Target Info | |||
| Target Name | Nitric-oxide synthase brain (NOS1) | ||||
| Synonyms | Peptidyl-cysteine S-nitrosylase NOS1; Nitric oxide synthase, brain; Neuronal NOS; NOS, type I; NOS type I; NNOS; NC-NOS; N-NOS; BNOS | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | NOS1 | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | BH4 | Ligand Info | |||
| Canonical SMILES | CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O | ||||
| InChI | 1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1 | ||||
| InChIKey | FNKQXYHWGSIFBK-RPDRRWSUSA-N | ||||
| PubChem Compound ID | 135398654 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7TS6 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
FLKVKNWETE
314 VVLTDTLHLK324 STLETGCTEY334 ICMGSIMHPS344 QHARRPEDVA354 TKDQLFPLAK 364 EFIDQYYSSI374 KRFGSKAHME384 RLEEVNKEID394 TTSTYQLKDT404 ELIYGAKHAW 414 RNASRCVGRI424 QWSKLQVFDA434 RDCTTAHGMF444 NYICNHVKYA454 TNKGNLRSAI 464 TIFPQRTDGK474 HDFRVWNSQL484 IRYAGYKQPD494 GSTLGDPANV504 QFTEICIQQG 514 WKPPRGRFDV524 LPLLLQANGN534 DPELFQIPPE544 LVLEVPIRHP554 KFEWFKDLGL 564 KWYGLPAVSN574 MLLEIGGLEF584 SACPFSGWYM594 GTEIGVRDYC604 DNSRYNILEE 614 VAKKMNLDMR624 KTSSLWKDQA634 LVEINIAVLY644 SFQSDKVTIV654 DHHSATESFI 664 KHMENEYRCR674 GGCPADWVWI684 VPPMSGSITP694 VFHQEMLNYR704 LTPSFEYQPD 714 PWNTHVWK
|
|||||
|
|
||||||
| PDB ID: 7US8 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(4-(dimethylamino)butyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | Yes | [1] |
| PDB Sequence |
FLKVKNWETE
314 VVLTDTLHLK324 STLETGCTEY334 ICMGSIMHPS344 QHARRPEDVA354 TKDQLFPLAK 364 EFIDQYYSSI374 KRFGSKAHME384 RLEEVNKEID394 TTSTYQLKDT404 ELIYGAKHAW 414 RNASRCVGRI424 QWSKLQVFDA434 RDCTTAHGMF444 NYICNHVKYA454 TNKGNLRSAI 464 TIFPQRTDGK474 HDFRVWNSQL484 IRYAGYKQPD494 GSTLGDPANV504 QFTEICIQQG 514 WKPPRGRFDV524 LPLLLQANGN534 DPELFQIPPE544 LVLEVPIRHP554 KFEWFKDLGL 564 KWYGLPAVSN574 MLLEIGGLEF584 SACPFSGWYM594 GTEIGVRDYC604 DNSRYNILEE 614 VAKKMNLDMR624 KTSSLWKDQA634 LVEINIAVLY644 SFQSDKVTIV654 DHHSATESFI 664 KHMENEYRCR674 GGCPADWVWI684 VPPMSGSITP694 VFHQEMLNYR704 LTPSFEYQPD 714 PWNTHVWK
|
|||||
|
|
||||||
| PDB ID: 7TS5 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | Yes | [1] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSQHARRPE351 DVATKDQLFP 361 LAKEFIDQYY371 SSIKRFGSKA381 HMERLEEVNK391 EIDTTSTYQL401 KDTELIYGAK 411 HAWRNASRCV421 GRIQWSKLQV431 FDARDCTTAH441 GMFNYICNHV451 KYATNKGNLR 461 SAITIFPQRT471 DGKHDFRVWN481 SQLIRYAGYK491 QPDGSTLGDP501 ANVQFTEICI 511 QQGWKPPRGR521 FDVLPLLLQA531 NGNDPELFQI541 PPELVLEVPI551 RHPKFEWFKD 561 LGLKWYGLPA571 VSNMLLEIGG581 LEFSACPFSG591 WYMGTEIGVR601 DYCDNSRYNI 611 LEEVAKKMNL621 DMRKTSSLWK631 DQALVEINIA641 VLYSFQSDKV651 TIVDHHSATE 661 SFIKHMENEY671 RCRGGCPADW681 VWIVPPMSGS691 ITPVFHQEML701 NYRLTPSFEY 711 QPDPWNTHVW721 K
|
|||||
|
|
||||||
| PDB ID: 7UAM Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (6-(3-(4,4-difluoropiperidin-1-yl)propyl)-4-methylpyridin-2-amine) | ||||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | Yes | [1] |
| PDB Sequence |
FLKVKNWETE
314 VVLTDTLHLK324 STLETGCTEY334 ICMGSIMHPS344 QHARRPEDVA354 TKDQLFPLAK 364 EFIDQYYSSI374 KRFGSKAHME384 RLEEVNKEID394 TTSTYQLKDT404 ELIYGAKHAW 414 RNASRCVGRI424 QWSKLQVFDA434 RDCTTAHGMF444 NYICNHVKYA454 TNKGNLRSAI 464 TIFPQRTDGK474 HDFRVWNSQL484 IRYAGYKQPD494 GSTLGDPANV504 QFTEICIQQG 514 WKPPRGRFDV524 LPLLLQANGN534 DPELFQIPPE544 LVLEVPIRHP554 KFEWFKDLGL 564 KWYGLPAVSN574 MLLEIGGLEF584 SACPFSGWYM594 GTEIGVRDYC604 DNSRYNILEE 614 VAKKMNLDMR624 KTSSLWKDQA634 LVEINIAVLY644 SFQSDKVTIV654 DHHSATESFI 664 KHMENEYRCR674 GGCPADWVWI684 VPPMSGSITP694 VFHQEMLNYR704 LTPSFEYQPD 714 PWNTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7TS4 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl)pyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [1] |
| PDB Sequence |
RFLKVKNWET
313 EVVLTDTLHL323 KSTLETGCTE333 YICMGSIMHP343 SQHARRPEDV353 ATKDQLFPLA 363 KEFIDQYYSS373 IKRFGSKAHM383 ERLEEVNKEI393 DTTSTYQLKD403 TELIYGAKHA 413 WRNASRCVGR423 IQWSKLQVFD433 ARDCTTAHGM443 FNYICNHVKY453 ATNKGNLRSA 463 ITIFPQRTDG473 KHDFRVWNSQ483 LIRYAGYKQP493 DGSTLGDPAN503 VQFTEICIQQ 513 GWKPPRGRFD523 VLPLLLQANG533 NDPELFQIPP543 ELVLEVPIRH553 PKFEWFKDLG 563 LKWYGLPAVS573 NMLLEIGGLE583 FSACPFSGWY593 MGTEIGVRDY603 CDNSRYNILE 613 EVAKKMNLDM623 RKTSSLWKDQ633 ALVEINIAVL643 YSFQSDKVTI653 VDHHSATESF 663 IKHMENEYRC673 RGGCPADWVW683 IVPPMSGSIT693 PVFHQEMLNY703 RLTPSFEYQP 713 DPWNTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7TS7 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-(methylamino)propyl)pyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
PRFLKVKNWE
312 TEVVLTDTLH322 LKSTLETGCT332 EYICMGSIMH342 PSQHARRPED352 VATKDQLFPL 362 AKEFIDQYYS372 SIKRFGSKAH382 MERLEEVNKE392 IDTTSTYQLK402 DTELIYGAKH 412 AWRNASRCVG422 RIQWSKLQVF432 DARDCTTAHG442 MFNYICNHVK452 YATNKGNLRS 462 AITIFPQRTD472 GKHDFRVWNS482 QLIRYAGYKQ492 PDGSTLGDPA502 NVQFTEICIQ 512 QGWKPPRGRF522 DVLPLLLQAN532 GNDPELFQIP542 PELVLEVPIR552 HPKFEWFKDL 562 GLKWYGLPAV572 SNMLLEIGGL582 EFSACPFSGW592 YMGTEIGVRD602 YCDNSRYNIL 612 EEVAKKMNLD622 MRKTSSLWKD632 QALVEINIAV642 LYSFQSDKVT652 IVDHHSATES 662 FIKHMENEYR672 CRGGCPADWV682 WIVPPMSGSI692 TPVFHQEMLN702 YRLTPSFEYQ 712 PDPWNTHVWK722
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7US7 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(4-(dimethylamino)but-1-yn-1-yl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | Yes | [1] |
| PDB Sequence |
FLKVKNWETE
314 VVLTDTLHLK324 STLETGCTEY334 ICMGSIMHPS344 QHARRPEDVA354 TKDQLFPLAK 364 EFIDQYYSSI374 KRFGSKAHME384 RLEEVNKEID394 TTSTYQLKDT404 ELIYGAKHAW 414 RNASRCVGRI424 QWSKLQVFDA434 RDCTTAHGMF444 NYICNHVKYA454 TNKGNLRSAI 464 TIFPQRTDGK474 HDFRVWNSQL484 IRYAGYKQPD494 GSTLGDPANV504 QFTEICIQQG 514 WKPPRGRFDV524 LPLLLQANGN534 DPELFQIPPE544 LVLEVPIRHP554 KFEWFKDLGL 564 KWYGLPAVSN574 MLLEIGGLEF584 SACPFSGWYM594 GTEIGVRDYC604 DNSRYNILEE 614 VAKKMNLDMR624 KTSSLWKDQA634 LVEINIAVLY644 SFQSDKVTIV654 DHHSATESFI 664 KHMENEYRCR674 GGCPADWVWI684 VPPMSGSITP694 VFHQEMLNYR704 LTPSFEYQPD 714 PWNTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7TS2 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)propyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [1] |
| PDB Sequence |
PRFLKVKNWE
312 TEVVLTDTLH322 LKSTLETGCT332 EYICMGSIMH342 PSQHARRPED352 VATKDQLFPL 362 AKEFIDQYYS372 SIKRFGSKAH382 MERLEEVNKE392 IDTTSTYQLK402 DTELIYGAKH 412 AWRNASRCVG422 RIQWSKLQVF432 DARDCTTAHG442 MFNYICNHVK452 YATNKGNLRS 462 AITIFPQRTD472 GKHDFRVWNS482 QLIRYAGYKQ492 PDGSTLGDPA502 NVQFTEICIQ 512 QGWKPPRGRF522 DVLPLLLQAN532 GNDPELFQIP542 PELVLEVPIR552 HPKFEWFKDL 562 GLKWYGLPAV572 SNMLLEIGGL582 EFSACPFSGW592 YMGTEIGVRD602 YCDNSRYNIL 612 EEVAKKMNLD622 MRKTSSLWKD632 QALVEINIAV642 LYSFQSDKVT652 IVDHHSATES 662 FIKHMENEYR672 CRGGCPADWV682 WIVPPMSGSI692 TPVFHQEMLN702 YRLTPSFEYQ 712 PDPWNTHVWK722
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7TS1 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | Yes | [1] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSQHARRPE351 DVATKDQLFP 361 LAKEFIDQYY371 SSIKRFGSKA381 HMERLEEVNK391 EIDTTSTYQL401 KDTELIYGAK 411 HAWRNASRCV421 GRIQWSKLQV431 FDARDCTTAH441 GMFNYICNHV451 KYATNKGNLR 461 SAITIFPQRT471 DGKHDFRVWN481 SQLIRYAGYK491 QPDGSTLGDP501 ANVQFTEICI 511 QQGWKPPRGR521 FDVLPLLLQA531 NGNDPELFQI541 PPELVLEVPI551 RHPKFEWFKD 561 LGLKWYGLPA571 VSNMLLEIGG581 LEFSACPFSG591 WYMGTEIGVR601 DYCDNSRYNI 611 LEEVAKKMNL621 DMRKTSSLWK631 DQALVEINIA641 VLYSFQSDKV651 TIVDHHSATE 661 SFIKHMENEY671 RCRGGCPADW681 VWIVPPMSGS691 ITPVFHQEML701 NYRLTPSFEY 711 QPDPWNTHVW721 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7TS3 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
PRFLKVKNWE
312 TEVVLTDTLH322 LKSTLETGCT332 EYICMGSIMH342 PSQHARRPED352 VATKDQLFPL 362 AKEFIDQYYS372 SIKRFGSKAH382 MERLEEVNKE392 IDTTSTYQLK402 DTELIYGAKH 412 AWRNASRCVG422 RIQWSKLQVF432 DARDCTTAHG442 MFNYICNHVK452 YATNKGNLRS 462 AITIFPQRTD472 GKHDFRVWNS482 QLIRYAGYKQ492 PDGSTLGDPA502 NVQFTEICIQ 512 QGWKPPRGRF522 DVLPLLLQAN532 GNDPELFQIP542 PELVLEVPIR552 HPKFEWFKDL 562 GLKWYGLPAV572 SNMLLEIGGL582 EFSACPFSGW592 YMGTEIGVRD602 YCDNSRYNIL 612 EEVAKKMNLD622 MRKTSSLWKD632 QALVEINIAV642 LYSFQSDKVT652 IVDHHSATES 662 FIKHMENEYR672 CRGGCPADWV682 WIVPPMSGSI692 TPVFHQEMLN702 YRLTPSFEYQ 712 PDPWNTHVWK722
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7TS8 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-chloro-6-((5-(2-(dimethylamino)ethyl)-2,3-difluorophenyl)ethynyl)pyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
RFLKVKNWET
313 EVVLTDTLHL323 KSTLETGCTE333 YICMGSIMHP343 SPEDVATKDQ358 LFPLAKEFID 368 QYYSSIKRFG378 SKAHMERLEE388 VNKEIDTTST398 YQLKDTELIY408 GAKHAWRNAS 418 RCVGRIQWSK428 LQVFDARDCT438 TAHGMFNYIC448 NHVKYATNKG458 NLRSAITIFP 468 QRTDGKHDFR478 VWNSQLIRYA488 GYKQPDGSTL498 GDPANVQFTE508 ICIQQGWKPP 518 RGRFDVLPLL528 LQANGNDPEL538 FQIPPELVLE548 VPIRHPKFEW558 FKDLGLKWYG 568 LPAVSNMLLE578 IGGLEFSACP588 FSGWYMGTEI598 GVRDYCDNSR608 YNILEEVAKK 618 MNLDMRKTSS628 LWKDQALVEI638 NIAVLYSFQS648 DKVTIVDHHS658 ATESFIKHME 668 NEYRCRGGCP678 ADWVWIVPPM688 SGSITPVFHQ698 EMLNYRLTPS708 FEYQPDPWNT 718 HVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:309 or .A:311 or .A:339 or .A:340 or .A:341 or .A:601 or .A:681 or .A:682 or .A:683 or .A:696 or .A:697 or .A:698 or .A:699; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4UCH Structure of human nNOS R354A G357D mutant heme domain in complex with 3-(((2-((2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL)AMINO)METHYL) BENZONITRILE | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [2] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWKG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683 or .A:684; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6CIC Structure of the human nitric oxide synthase R354A/G357D mutant heme domain in complex with N-(1-(2-(Ethyl(methyl)amino)ethyl)-1,2,3,4-tetrahydroquino-lin-6-yl)thiophene-2-carboximidamide | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [3] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSQHARRPE351 DVATKDQLFP 361 LAKEFIDQYY371 SSIKRFGSKA381 HMERLEEVNK391 EIDTTSTYQL401 KDTELIYGAK 411 HAWRNASRCV421 GRIQWSKLQV431 FDARDCTTAH441 GMFNYICNHV451 KYATNKGNLR 461 SAITIFPQRT471 DGKHDFRVWN481 SQLIRYAGYK491 QPDGSTLGDP501 ANVQFTEICI 511 QQGWKPPRGR521 FDVLPLLLQA531 NGNDPELFQI541 PPELVLEVPI551 RHPKFEWFKD 561 LGLKWYGLPA571 VSNMLLEIGG581 LEFSACPFSG591 WYMGTEIGVR601 DYCDNSRYNI 611 LEEVAKKMNL621 DMRKTSSLWK631 DQALVEINIA641 VLYSFQSDKV651 TIVDHHSATE 661 SFIKHMENEY671 RCRGGCPADW681 VWIVPPMSGS691 ITPVFHQEML701 NYRLTPSFEY 711 QPDPWNTHVW721 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6CID Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [3] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSQHARRPE351 DVATKDQLFP 361 LAKEFIDQYY371 SSIKRFGSKA381 HMERLEEVNK391 EIDTTSTYQL401 KDTELIYGAK 411 HAWRNASRCV421 GRIQWSKLQV431 FDARDCTTAH441 GMFNYICNHV451 KYATNKGNLR 461 SAITIFPQRT471 DGKHDFRVWN481 SQLIRYAGYK491 QPDGSTLGDP501 ANVQFTEICI 511 QQGWKPPRGR521 FDVLPLLLQA531 NGNDPELFQI541 PPELVLEVPI551 RHPKFEWFKD 561 LGLKWYGLPA571 VSNMLLEIGG581 LEFSACPFSG591 WYMGTEIGVR601 DYCDNSRYNI 611 LEEVAKKMNL621 DMRKTSSLWK631 DQALVEINIA641 VLYSFQSDKV651 TIVDHHSATE 661 SFIKHMENEY671 RCRGGCPADW681 VWIVPPMSGS691 ITPVFHQEML701 NYRLTPSFEY 711 QPDPWNTHVW721 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NG4 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (R)-6-(3-fluoro-5-(2-(pyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPEDVATKDQ358 LFPLAKEFID 368 QYYSSIKRFG378 SKAHMERLEE388 VNKEIDTTST398 YQLKDTELIY408 GAKHAWRNAS 418 RCVGRIQWSK428 LQVFDARDCT438 TAHGMFNYIC448 NHVKYATNKG458 NLRSAITIFP 468 QRTDGKHDFR478 VWNSQLIRYA488 GYKQPDGSTL498 GDPANVQFTE508 ICIQQGWKPP 518 RGRFDVLPLL528 LQANGNDPEL538 FQIPPELVLE548 VPIRHPKFEW558 FKDLGLKWYG 568 LPAVSNMLLE578 IGGLEFSACP588 FSGWYMGTEI598 GVRDYCDNSR608 YNILEEVAKK 618 MNLDMRKTSS628 LWKDQALVEI638 NIAVLYSFQS648 DKVTIVDHHS658 ATESFIKHME 668 NEYRCRGGCP678 ADWVWIVPPM688 SGSITPVFHQ698 EMLNYRLTPS708 FEYQPDPWNT 718 HVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VV0 Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methylpyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [5] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVRTKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NGD Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3,4-trifluorophenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPRPEDVATK356 DQLFPLAKEF 366 IDQYYSSIKR376 FGSKAHMERL386 EEVNKEIDTT396 STYQLKDTEL406 IYGAKHAWRN 416 ASRCVGRIQW426 SKLQVFDARD436 CTTAHGMFNY446 ICNHVKYATN456 KGNLRSAITI 466 FPQRTDGKHD476 FRVWNSQLIR486 YAGYKQPDGS496 TLGDPANVQF506 TEICIQQGWK 516 PPRGRFDVLP526 LLLQANGNDP536 ELFQIPPELV546 LEVPIRHPKF556 EWFKDLGLKW 566 YGLPAVSNML576 LEIGGLEFSA586 CPFSGWYMGT596 EIGVRDYCDN606 SRYNILEEVA 616 KKMNLDMRKT626 SSLWKDQALV636 EINIAVLYSF646 QSDKVTIVDH656 HSATESFIKH 666 MENEYRCRGG676 CPADWVWIVP686 PMSGSITPVF696 HQEMLNYRLT706 PSFEYQPDPW 716 NTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NGI Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(4-methylmorpholin-3-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPRPEDVATK356 DQLFPLAKEF 366 IDQYYSSIKR376 FGSKAHMERL386 EEVNKEIDTT396 STYQLKDTEL406 IYGAKHAWRN 416 ASRCVGRIQW426 SKLQVFDARD436 CTTAHGMFNY446 ICNHVKYATN456 KGNLRSAITI 466 FPQRTDGKHD476 FRVWNSQLIR486 YAGYKQPDGS496 TLGDPANVQF506 TEICIQQGWK 516 PPRGRFDVLP526 LLLQANGNDP536 ELFQIPPELV546 LEVPIRHPKF556 EWFKDLGLKW 566 YGLPAVSNML576 LEIGGLEFSA586 CPFSGWYMGT596 EIGVRDYCDN606 SRYNILEEVA 616 KKMNLDMRKT626 SSLWKDQALV636 EINIAVLYSF646 QSDKVTIVDH656 HSATESFIKH 666 MENEYRCRGG676 CPADWVWIVP686 PMSGSITPVF696 HQEMLNYRLT706 PSFEYQPDPW 716 NTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:311 or .A:339 or .A:340 or .A:341 or .A:601 or .A:681 or .A:682 or .A:683 or .A:696 or .A:697 or .A:698 or .A:699; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6PO9 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-4-methylquinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPRPEDVATK356 DQLFPLAKEF 366 IDQYYSSIKR376 FGSKAHMERL386 EEVNKEIDTT396 STYQLKDTEL406 IYGAKHAWRN 416 ASRCVGRIQW426 SKLQVFDARD436 CTTAHGMFNY446 ICNHVKYATN456 KGNLRSAITI 466 FPQRTDGKHD476 FRVWNSQLIR486 YAGYKQPDGS496 TLGDPANVQF506 TEICIQQGWK 516 PPRGRFDVLP526 LLLQANGNDP536 ELFQIPPELV546 LEVPIRHPKF556 EWFKDLGLKW 566 YGLPAVSNML576 LEIGGLEFSA586 CPFSGWYMGT596 EIGVRDYCDN606 SRYNILEEVA 616 KKMNLDMRKT626 SSLWKDQALV636 EINIAVLYSF646 QSDKVTIVDH656 HSATESFIKH 666 MENEYRCRGG676 CPADWVWIVP686 PMSGSITPVF696 HQEMLNYRLT706 PSFEYQPDPW 716 NTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6POA Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-4-methylquinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683 or .A:685; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6PO5 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4-methylquinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSRPEDVAT355 KDQLFPLAKE 365 FIDQYYSSIK375 RFGSKAHMER385 LEEVNKEIDT395 TSTYQLKDTE405 LIYGAKHAWR 415 NASRCVGRIQ425 WSKLQVFDAR435 DCTTAHGMFN445 YICNHVKYAT455 NKGNLRSAIT 465 IFPQRTDGKH475 DFRVWNSQLI485 RYAGYKQPDG495 STLGDPANVQ505 FTEICIQQGW 515 KPPRGRFDVL525 PLLLQANGND535 PELFQIPPEL545 VLEVPIRHPK555 FEWFKDLGLK 565 WYGLPAVSNM575 LLEIGGLEFS585 ACPFSGWYMG595 TEIGVRDYCD605 NSRYNILEEV 615 AKKMNLDMRK625 TSSLWKDQAL635 VEINIAVLYS645 FQSDKVTIVD655 HHSATESFIK 665 HMENEYRCRG675 GCPADWVWIV685 PPMSGSITPV695 FHQEMLNYRL705 TPSFEYQPDP 715 WNTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683 or .A:684 or .A:685; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6AV4 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(2-(5-(4-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | Yes | [7] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPPEDVATKD357 QLFPLAKEFI 367 DQYYSSIKRF377 GSKAHMERLE387 EVNKEIDTTS397 TYQLKDTELI407 YGAKHAWRNA 417 SRCVGRIQWS427 KLQVFDARDC437 TTAHGMFNYI447 CNHVKYATNK457 GNLRSAITIF 467 PQRTDGKHDF477 RVWNSQLIRY487 AGYKQPDGST497 LGDPANVQFT507 EICIQQGWKP 517 PRGRFDVLPL527 LLQANGNDPE537 LFQIPPELVL547 EVPIRHPKFE557 WFKDLGLKWY 567 GLPAVSNMLL577 EIGGLEFSAC587 PFSGWYMGTE597 IGVRDYCDNS607 RYNILEEVAK 617 KMNLDMRKTS627 SLWKDQALVE637 INIAVLYSFQ647 SDKVTIVDHH657 SATESFIKHM 667 ENEYRCRGGC677 PADWVWIVPP687 MSGSITPVFH697 QEMLNYRLTP707 SFEYQPDPWN 717 THVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5UO1 Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [8] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6AV5 Structure of human neuronal nitric oxide synthase R354A/G356D mutant heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [7] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NG8 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NGB Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,5-difluorophenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6PO8 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-((4-(2-Amino-4-methylquinolin-7-yl)-2-(aminomethyl)phenoxy)methyl)benzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSDVATKDQ358 LFPLAKEFID 368 QYYSSIKRFG378 SKAHMERLEE388 VNKEIDTTST398 YQLKDTELIY408 GAKHAWRNAS 418 RCVGRIQWSK428 LQVFDARDCT438 TAHGMFNYIC448 NHVKYATNKG458 NLRSAITIFP 468 QRTDGKHDFR478 VWNSQLIRYA488 GYKQPDGSTL498 GDPANVQFTE508 ICIQQGWKPP 518 RGRFDVLPLL528 LQANGNDPEL538 FQIPPELVLE548 VPIRHPKFEW558 FKDLGLKWYG 568 LPAVSNMLLE578 IGGLEFSACP588 FSGWYMGTEI598 GVRDYCDNSR608 YNILEEVAKK 618 MNLDMRKTSS628 LWKDQALVEI638 NIAVLYSFQS648 DKVTIVDHHS658 ATESFIKHME 668 NEYRCRGGCP678 ADWVWIVPPM688 SGSITPVFHQ698 EMLNYRLTPS708 FEYQPDPWNT 718 HVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6AUY Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(3-(3-(methylamino)propyl)phenethyl)pyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | Yes | [7] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPPEDVATKD357 QLFPLAKEFI 367 DQYYSSIKRF377 GSKAHMERLE387 EVNKEIDTTS397 TYQLKDTELI407 YGAKHAWRNA 417 SRCVGRIQWS427 KLQVFDARDC437 TTAHGMFNYI447 CNHVKYATNK457 GNLRSAITIF 467 PQRTDGKHDF477 RVWNSQLIRY487 AGYKQPDGST497 LGDPANVQFT507 EICIQQGWKP 517 PRGRFDVLPL527 LLQANGNDPE537 LFQIPPELVL547 EVPIRHPKFE557 WFKDLGLKWY 567 GLPAVSNMLL577 EIGGLEFSAC587 PFSGWYMGTE597 IGVRDYCDNS607 RYNILEEVAK 617 KMNLDMRKTS627 SLWKDQALVE637 INIAVLYSFQ647 SDKVTIVDHH657 SATESFIKHM 667 ENEYRCRGGC677 PADWVWIVPP687 MSGSITPVFH697 QEMLNYRLTP707 SFEYQPDPWN 717 THVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NG2 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)prop-1-yn-1-yl)-5-fluorophenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPPEDVATKD357 QLFPLAKEFI 367 DQYYSSIKRF377 GSKAHMERLE387 EVNKEIDTTS397 TYQLKDTELI407 YGAKHAWRNA 417 SRCVGRIQWS427 KLQVFDARDC437 TTAHGMFNYI447 CNHVKYATNK457 GNLRSAITIF 467 PQRTDGKHDF477 RVWNSQLIRY487 AGYKQPDGST497 LGDPANVQFT507 EICIQQGWKP 517 PRGRFDVLPL527 LLQANGNDPE537 LFQIPPELVL547 EVPIRHPKFE557 WFKDLGLKWY 567 GLPAVSNMLL577 EIGGLEFSAC587 PFSGWYMGTE597 IGVRDYCDNS607 RYNILEEVAK 617 KMNLDMRKTS627 SLWKDQALVE637 INIAVLYSFQ647 SDKVTIVDHH657 SATESFIKHM 667 ENEYRCRGGC677 PADWVWIVPP687 MSGSITPVFH697 QEMLNYRLTP707 SFEYQPDPWN 717 THVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5UO2 Structure of human neuronal nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [8] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSPEDVATK356 DQLFPLAKEF 366 IDQYYSSIKR376 FGSKAHMERL386 EEVNKEIDTT396 STYQLKDTEL406 IYGAKHAWRN 416 ASRCVGRIQW426 SKLQVFDARD436 CTTAHGMFNY446 ICNHVKYATN456 KGNLRSAITI 466 FPQRTDGKHD476 FRVWNSQLIR486 YAGYKQPDGS496 TLGDPANVQF506 TEICIQQGWK 516 PPRGRFDVLP526 LLLQANGNDP536 ELFQIPPELV546 LEVPIRHPKF556 EWFKDLGLKW 566 YGLPAVSNML576 LEIGGLEFSA586 CPFSGWYMGT596 EIGVRDYCDN606 SRYNILEEVA 616 KKMNLDMRKT626 SSLWKDQALV636 EINIAVLYSF646 QSDKVTIVDH656 HSATESFIKH 666 MENEYRCRGG676 CPADWVWIVP686 PMSGSITPVF696 HQEMLNYRLT706 PSFEYQPDPW 716 NTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683 or .A:685; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VV1 Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methoxypyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [5] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6AV3 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(2-(5-(3-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [7] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6PNA Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPPEDVATKD357 QLFPLAKEFI 367 DQYYSSIKRF377 GSKAHMERLE387 EVNKEIDTTS397 TYQLKDTELI407 YGAKHAWRNA 417 SRCVGRIQWS427 KLQVFDARDC437 TTAHGMFNYI447 CNHVKYATNK457 GNLRSAITIF 467 PQRTDGKHDF477 RVWNSQLIRY487 AGYKQPDGST497 LGDPANVQFT507 EICIQQGWKP 517 PRGRFDVLPL527 LLQANGNDPE537 LFQIPPELVL547 EVPIRHPKFE557 WFKDLGLKWY 567 GLPAVSNMLL577 EIGGLEFSAC587 PFSGWYMGTE597 IGVRDYCDNS607 RYNILEEVAK 617 KMNLDMRKTS627 SLWKDQALVE637 INIAVLYSFQ647 SDKVTIVDHH657 SATESFIKHM 667 ENEYRCRGGC677 PADWVWIVPP687 MSGSITPVFH697 QEMLNYRLTP707 SFEYQPDPWN 717 THVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6PO7 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclopropylmethoxy)phenyl)-4-methylquinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPRPEDVATK356 DQLFPLAKEF 366 IDQYYSSIKR376 FGSKAHMERL386 EEVNKEIDTT396 STYQLKDTEL406 IYGAKHAWRN 416 ASRCVGRIQW426 SKLQVFDARD436 CTTAHGMFNY446 ICNHVKYATN456 KGNLRSAITI 466 FPQRTDGKHD476 FRVWNSQLIR486 YAGYKQPDGS496 TLGDPANVQF506 TEICIQQGWK 516 PPRGRFDVLP526 LLLQANGNDP536 ELFQIPPELV546 LEVPIRHPKF556 EWFKDLGLKW 566 YGLPAVSNML576 LEIGGLEFSA586 CPFSGWYMGT596 EIGVRDYCDN606 SRYNILEEVA 616 KKMNLDMRKT626 SSLWKDQALV636 EINIAVLYSF646 QSDKVTIVDH656 HSATESFIKH 666 MENEYRCRGG676 CPADWVWIVP686 PMSGSITPVF696 HQEMLNYRLT706 PSFEYQPDPW 716 NTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683 or .A:685; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6POB Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPRPEDVATK356 DQLFPLAKEF 366 IDQYYSSIKR376 FGSKAHMERL386 EEVNKEIDTT396 STYQLKDTEL406 IYGAKHAWRN 416 ASRCVGRIQW426 SKLQVFDARD436 CTTAHGMFNY446 ICNHVKYATN456 KGNLRSAITI 466 FPQRTDGKHD476 FRVWNSQLIR486 YAGYKQPDGS496 TLGDPANVQF506 TEICIQQGWK 516 PPRGRFDVLP526 LLLQANGNDP536 ELFQIPPELV546 LEVPIRHPKF556 EWFKDLGLKW 566 YGLPAVSNML576 LEIGGLEFSA586 CPFSGWYMGT596 EIGVRDYCDN606 SRYNILEEVA 616 KKMNLDMRKT626 SSLWKDQALV636 EINIAVLYSF646 QSDKVTIVDH656 HSATESFIKH 666 MENEYRCRGG676 CPADWVWIVP686 PMSGSITPVF696 HQEMLNYRLT706 PSFEYQPDPW 716 NTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5UO6 Structure of human neuronal nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | Yes | [8] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NG5 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (R)-6-(3-fluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPEDVATKDQ358 LFPLAKEFID 368 QYYSSIKRFG378 SKAHMERLEE388 VNKEIDTTST398 YQLKDTELIY408 GAKHAWRNAS 418 RCVGRIQWSK428 LQVFDARDCT438 TAHGMFNYIC448 NHVKYATNKG458 NLRSAITIFP 468 QRTDGKHDFR478 VWNSQLIRYA488 GYKQPDGSTL498 GDPANVQFTE508 ICIQQGWKPP 518 RGRFDVLPLL528 LQANGNDPEL538 FQIPPELVLE548 VPIRHPKFEW558 FKDLGLKWYG 568 LPAVSNMLLE578 IGGLEFSACP588 FSGWYMGTEI598 GVRDYCDNSR608 YNILEEVAKK 618 MNLDMRKTSS628 LWKDQALVEI638 NIAVLYSFQS648 DKVTIVDHHS658 ATESFIKHME 668 NEYRCRGGCP678 ADWVWIVPPM688 SGSITPVFHQ698 EMLNYRLTPS708 FEYQPDPWNT 718 HVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5ADF Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl)quinolin-2- amine | ||||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | Yes | [9] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VUZ Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | Yes | [5] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4UH5 Structure of human nNOS R354A G357D mutant heme domain in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2- dimethylethane-1,2-diamine | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [10] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPRPEDVATK356 DQLFPLAKEF 366 IDQYYSSIKR376 FGSKAHMERL386 EEVNKEIDTT396 STYQLKDTEL406 IYGAKHAWRN 416 ASRCVGRIQW426 SKLQVFDARD436 CTTAHGMFNY446 ICNHVKYATN456 KGNLRSAITI 466 FPQRTDGKHD476 FRVWNSQLIR486 YAGYKQPDGS496 TLGDPANVQF506 TEICIQQGWK 516 PPRGRFDVLP526 LLLQANGNDP536 ELFQIPPELV546 LEVPIRHPKF556 EWFKDLGLKW 566 YGLPAVSNML576 LEIGGLEFSA586 CPFSGWYMGT596 EIGVRDYCDN606 SRYNILEEVA 616 KKMNLDMRKT626 SSLWKDQALV636 EINIAVLYSF646 QSDKVTIVDH656 HSATESFIKH 666 MENEYRCRGG676 CPADWVWIVP686 PMSGSITPVF696 HQEMLNYRLT706 PSFEYQPDPW 716 NTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4UH6 Structure of human nNOS R354A G357D mutant heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [10] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5ADG Structure of human nNOS R354A G357D mutant heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl)quinolin-2- amine | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [9] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VUV Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-Fluorophenyl)amino)methyl)quinolin-2-amine Dihydrochloride | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [5] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NGA Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,6-difluorophenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NGF Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (R)-6-(2,3-difluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5UO4 Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [8] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPPEDVATKD357 QLFPLAKEFI 367 DQYYSSIKRF377 GSKAHMERLE387 EVNKEIDTTS397 TYQLKDTELI407 YGAKHAWRNA 417 SRCVGRIQWS427 KLQVFDARDC437 TTAHGMFNYI447 CNHVKYATNK457 GNLRSAITIF 467 PQRTDGKHDF477 RVWNSQLIRY487 AGYKQPDGST497 LGDPANVQFT507 EICIQQGWKP 517 PRGRFDVLPL527 LLQANGNDPE537 LFQIPPELVL547 EVPIRHPKFE557 WFKDLGLKWY 567 GLPAVSNMLL577 EIGGLEFSAC587 PFSGWYMGTE597 IGVRDYCDNS607 RYNILEEVAK 617 KMNLDMRKTS627 SLWKDQALVE637 INIAVLYSFQ647 SDKVTIVDHH657 SATESFIKHM 667 ENEYRCRGGC677 PADWVWIVPP687 MSGSITPVFH697 QEMLNYRLTP707 SFEYQPDPWN 717 THVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5UO5 Structure of human neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [8] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPPEDVATKD357 QLFPLAKEFI 367 DQYYSSIKRF377 GSKAHMERLE387 EVNKEIDTTS397 TYQLKDTELI407 YGAKHAWRNA 417 SRCVGRIQWS427 KLQVFDARDC437 TTAHGMFNYI447 CNHVKYATNK457 GNLRSAITIF 467 PQRTDGKHDF477 RVWNSQLIRY487 AGYKQPDGST497 LGDPANVQFT507 EICIQQGWKP 517 PRGRFDVLPL527 LLQANGNDPE537 LFQIPPELVL547 EVPIRHPKFE557 WFKDLGLKWY 567 GLPAVSNMLL577 EIGGLEFSAC587 PFSGWYMGTE597 IGVRDYCDNS607 RYNILEEVAK 617 KMNLDMRKTS627 SLWKDQALVE637 INIAVLYSFQ647 SDKVTIVDHH657 SATESFIKHM 667 ENEYRCRGGC677 PADWVWIVPP687 MSGSITPVFH697 QEMLNYRLTP707 SFEYQPDPWN 717 THVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VV2 Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(5-Fluoropyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [5] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6AUZ Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [7] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6AV0 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(3-(methylamino)propyl)benzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [7] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NG7 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NGC Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,5,6-trifluorophenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NGH Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSPEDVATK356 DQLFPLAKEF 366 IDQYYSSIKR376 FGSKAHMERL386 EEVNKEIDTT396 STYQLKDTEL406 IYGAKHAWRN 416 ASRCVGRIQW426 SKLQVFDARD436 CTTAHGMFNY446 ICNHVKYATN456 KGNLRSAITI 466 FPQRTDGKHD476 FRVWNSQLIR486 YAGYKQPDGS496 TLGDPANVQF506 TEICIQQGWK 516 PPRGRFDVLP526 LLLQANGNDP536 ELFQIPPELV546 LEVPIRHPKF556 EWFKDLGLKW 566 YGLPAVSNML576 LEIGGLEFSA586 CPFSGWYMGT596 EIGVRDYCDN606 SRYNILEEVA 616 KKMNLDMRKT626 SSLWKDQALV636 EINIAVLYSF646 QSDKVTIVDH656 HSATESFIKH 666 MENEYRCRGG676 CPADWVWIVP686 PMSGSITPVF696 HQEMLNYRLT706 PSFEYQPDPW 716 NTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VUW Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | Yes | [5] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NHB Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(2-((2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPRPEDVATK356 DQLFPLAKEF 366 IDQYYSSIKR376 FGSKAHMERL386 EEVNKEIDTT396 STYQLKDTEL406 IYGAKHAWRN 416 ASRCVGRIQW426 SKLQVFDARD436 CTTAHGMFNY446 ICNHVKYATN456 KGNLRSAITI 466 FPQRTDGKHD476 FRVWNSQLIR486 YAGYKQPDGS496 TLGDPANVQF506 TEICIQQGWK 516 PPRGRFDVLP526 LLLQANGNDP536 ELFQIPPELV546 LEVPIRHPKF556 EWFKDLGLKW 566 YGLPAVSNML576 LEIGGLEFSA586 CPFSGWYMGT596 EIGVRDYCDN606 SRYNILEEVA 616 KKMNLDMRKT626 SSLWKDQALV636 EINIAVLYSF646 QSDKVTIVDH656 HSATESFIKH 666 MENEYRCRGG676 CPADWVWIVP686 PMSGSITPVF696 HQEMLNYRLT706 PSFEYQPDPW 716 NTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NG6 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (S)-6-(3-fluoro-5-(2-(pyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5FVV Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl) pyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [11] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6PNB Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(4-(Aminomethyl)phenyl)-4-methylquinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPEDVATKDQ358 LFPLAKEFID 368 QYYSSIKRFG378 SKAHMERLEE388 VNKEIDTTST398 YQLKDTELIY408 GAKHAWRNAS 418 RCVGRIQWSK428 LQVFDARDCT438 TAHGMFNYIC448 NHVKYATNKG458 NLRSAITIFP 468 QRTDGKHDFR478 VWNSQLIRYA488 GYKQPDGSTL498 GDPANVQFTE508 ICIQQGWKPP 518 RGRFDVLPLL528 LQANGNDPEL538 FQIPPELVLE548 VPIRHPKFEW558 FKDLGLKWYG 568 LPAVSNMLLE578 IGGLEFSACP588 FSGWYMGTEI598 GVRDYCDNSR608 YNILEEVAKK 618 MNLDMRKTSS628 LWKDQALVEI638 NIAVLYSFQS648 DKVTIVDHHS658 ATESFIKHME 668 NEYRCRGGCP678 ADWVWIVPPM688 SGSITPVFHQ698 EMLNYRLTPS708 FEYQPDPWNT 718 HVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683 or .A:685; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5UO7 Structure of human neuronal nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | Yes | [8] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSDVATKDQ358 LFPLAKEFID 368 QYYSSIKRFG378 SKAHMERLEE388 VNKEIDTTST398 YQLKDTELIY408 GAKHAWRNAS 418 RCVGRIQWSK428 LQVFDARDCT438 TAHGMFNYIC448 NHVKYATNKG458 NLRSAITIFP 468 QRTDGKHDFR478 VWNSQLIRYA488 GYKQPDGSTL498 GDPANVQFTE508 ICIQQGWKPP 518 RGRFDVLPLL528 LQANGNDPEL538 FQIPPELVLE548 VPIRHPKFEW558 FKDLGLKWYG 568 LPAVSNMLLE578 IGGLEFSACP588 FSGWYMGTEI598 GVRDYCDNSR608 YNILEEVAKK 618 MNLDMRKTSS628 LWKDQALVEI638 NIAVLYSFQS648 DKVTIVDHHS658 ATESFIKHME 668 NEYRCRGGCP678 ADWVWIVPPM688 SGSITPVFHQ698 EMLNYRLTPS708 FEYQPDPWNT 718 HVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VV4 Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [5] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6AV2 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)phenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [7] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NGE Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(2,3-difluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSDVATKDQ358 LFPLAKEFID 368 QYYSSIKRFG378 SKAHMERLEE388 VNKEIDTTST398 YQLKDTELIY408 GAKHAWRNAS 418 RCVGRIQWSK428 LQVFDARDCT438 TAHGMFNYIC448 NHVKYATNKG458 NLRSAITIFP 468 QRTDGKHDFR478 VWNSQLIRYA488 GYKQPDGSTL498 GDPANVQFTE508 ICIQQGWKPP 518 RGRFDVLPLL528 LQANGNDPEL538 FQIPPELVLE548 VPIRHPKFEW558 FKDLGLKWYG 568 LPAVSNMLLE578 IGGLEFSACP588 FSGWYMGTEI598 GVRDYCDNSR608 YNILEEVAKK 618 MNLDMRKTSS628 LWKDQALVEI638 NIAVLYSFQS648 DKVTIVDHHS658 ATESFIKHME 668 NEYRCRGGCP678 ADWVWIVPPM688 SGSITPVFHQ698 EMLNYRLTPS708 FEYQPDPWNT 718 HVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6PNE Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(5-(Aminomethyl)pyridin-3-yl)-4-methylquinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6PNF Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSDVATKDQ358 LFPLAKEFID 368 QYYSSIKRFG378 SKAHMERLEE388 VNKEIDTTST398 YQLKDTELIY408 GAKHAWRNAS 418 RCVGRIQWSK428 LQVFDARDCT438 TAHGMFNYIC448 NHVKYATNKG458 NLRSAITIFP 468 QRTDGKHDFR478 VWNSQLIRYA488 GYKQPDGSTL498 GDPANVQFTE508 ICIQQGWKPP 518 RGRFDVLPLL528 LQANGNDPEL538 FQIPPELVLE548 VPIRHPKFEW558 FKDLGLKWYG 568 LPAVSNMLLE578 IGGLEFSACP588 FSGWYMGTEI598 GVRDYCDNSR608 YNILEEVAKK 618 MNLDMRKTSS628 LWKDQALVEI638 NIAVLYSFQS648 DKVTIVDHHS658 ATESFIKHME 668 NEYRCRGGCP678 ADWVWIVPPM688 SGSITPVFHQ698 EMLNYRLTPS708 FEYQPDPWNT 718 HVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683 or .A:685; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VUY Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)phenethyl)amino)methyl)quinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [5] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683 or .A:685; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VV5 Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [5] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSPEDVATK356 DQLFPLAKEF 366 IDQYYSSIKR376 FGSKAHMERL386 EEVNKEIDTT396 STYQLKDTEL406 IYGAKHAWRN 416 ASRCVGRIQW426 SKLQVFDARD436 CTTAHGMFNY446 ICNHVKYATN456 KGNLRSAITI 466 FPQRTDGKHD476 FRVWNSQLIR486 YAGYKQPDGS496 TLGDPANVQF506 TEICIQQGWK 516 PPRGRFDVLP526 LLLQANGNDP536 ELFQIPPELV546 LEVPIRHPKF556 EWFKDLGLKW 566 YGLPAVSNML576 LEIGGLEFSA586 CPFSGWYMGT596 EIGVRDYCDN606 SRYNILEEVA 616 KKMNLDMRKT626 SSLWKDQALV636 EINIAVLYSF646 QSDKVTIVDH656 HSATESFIKH 666 MENEYRCRGG676 CPADWVWIVP686 PMSGSITPVF696 HQEMLNYRLT706 PSFEYQPDPW 716 NTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NG1 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-fluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6PNC Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSQHARRPE351 DVATKDQLFP 361 LAKEFIDQYY371 SSIKRFGSKA381 HMERLEEVNK391 EIDTTSTYQL401 KDTELIYGAK 411 HAWRNASRCV421 GRIQWSKLQV431 FDARDCTTAH441 GMFNYICNHV451 KYATNKGNLR 461 SAITIFPQRT471 DGKHDFRVWN481 SQLIRYAGYK491 QPDGSTLGDP501 ANVQFTEICI 511 QQGWKPPRGR521 FDVLPLLLQA531 NGNDPELFQI541 PPELVLEVPI551 RHPKFEWFKD 561 LGLKWYGLPA571 VSNMLLEIGG581 LEFSACPFSG591 WYMGTEIGVR601 DYCDNSRYNI 611 LEEVAKKMNL621 DMRKTSSLWK631 DQALVEINIA641 VLYSFQSDKV651 TIVDHHSATE 661 SFIKHMENEY671 RCRGGCPADW681 VWIVPPMSGS691 ITPVFHQEML701 NYRLTPSFEY 711 QPDPWNTHVW721 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683 or .A:685; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6NHC Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylazetidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | Yes | [4] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSPEDVATK356 DQLFPLAKEF 366 IDQYYSSIKR376 FGSKAHMERL386 EEVNKEIDTT396 STYQLKDTEL406 IYGAKHAWRN 416 ASRCVGRIQW426 SKLQVFDARD436 CTTAHGMFNY446 ICNHVKYATN456 KGNLRSAITI 466 FPQRTDGKHD476 FRVWNSQLIR486 YAGYKQPDGS496 TLGDPANVQF506 TEICIQQGWK 516 PPRGRFDVLP526 LLLQANGNDP536 ELFQIPPELV546 LEVPIRHPKF556 EWFKDLGLKW 566 YGLPAVSNML576 LEIGGLEFSA586 CPFSGWYMGT596 EIGVRDYCDN606 SRYNILEEVA 616 KKMNLDMRKT626 SSLWKDQALV636 EINIAVLYSF646 QSDKVTIVDH656 HSATESFIKH 666 MENEYRCRGG676 CPADWVWIVP686 PMSGSITPVF696 HQEMLNYRLT706 PSFEYQPDPW 716 NTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VV3 Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | Yes | [5] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5ADI Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((5-((Methylamino)methyl)pyridin-3-yl)oxy)methyl)quinolin-2- amine | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [9] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5FVW Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl)ethyl) pyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [11] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5UO3 Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [8] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683 or .A:685; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5FVU Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl) pyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | Yes | [11] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5FVX Structure of human nNOS R354A G357D mutant heme domain in complex with with 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL) PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [11] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5VUX Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [5] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6POT Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-5-ylmethoxy)phenyl)-4-methylquinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPRPEDVATK356 DQLFPLAKEF 366 IDQYYSSIKR376 FGSKAHMERL386 EEVNKEIDTT396 STYQLKDTEL406 IYGAKHAWRN 416 ASRCVGRIQW426 SKLQVFDARD436 CTTAHGMFNY446 ICNHVKYATN456 KGNLRSAITI 466 FPQRTDGKHD476 FRVWNSQLIR486 YAGYKQPDGS496 TLGDPANVQF506 TEICIQQGWK 516 PPRGRFDVLP526 LLLQANGNDP536 ELFQIPPELV546 LEVPIRHPKF556 EWFKDLGLKW 566 YGLPAVSNML576 LEIGGLEFSA586 CPFSGWYMGT596 EIGVRDYCDN606 SRYNILEEVA 616 KKMNLDMRKT626 SSLWKDQALV636 EINIAVLYSF646 QSDKVTIVDH656 HSATESFIKH 666 MENEYRCRGG676 CPADWVWIVP686 PMSGSITPVF696 HQEMLNYRLT706 PSFEYQPDPW 716 NTHVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683 or .A:684 or .A:685; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6PND Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [6] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPEDVATKDQ358 LFPLAKEFID 368 QYYSSIKRFG378 SKAHMERLEE388 VNKEIDTTST398 YQLKDTELIY408 GAKHAWRNAS 418 RCVGRIQWSK428 LQVFDARDCT438 TAHGMFNYIC448 NHVKYATNKG458 NLRSAITIFP 468 QRTDGKHDFR478 VWNSQLIRYA488 GYKQPDGSTL498 GDPANVQFTE508 ICIQQGWKPP 518 RGRFDVLPLL528 LQANGNDPEL538 FQIPPELVLE548 VPIRHPKFEW558 FKDLGLKWYG 568 LPAVSNMLLE578 IGGLEFSACP588 FSGWYMGTEI598 GVRDYCDNSR608 YNILEEVAKK 618 MNLDMRKTSS628 LWKDQALVEI638 NIAVLYSFQS648 DKVTIVDHHS658 ATESFIKHME 668 NEYRCRGGCP678 ADWVWIVPPM688 SGSITPVFHQ698 EMLNYRLTPS708 FEYQPDPWNT 718 HVWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683 or .A:685; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6AV1 Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(Dimethylamino)propyl)-5-fluorophenethyl)-4-methylpyridin-2-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | Yes | [7] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPDVATKDQL359 FPLAKEFIDQ 369 YYSSIKRFGS379 KAHMERLEEV389 NKEIDTTSTY399 QLKDTELIYG409 AKHAWRNASR 419 CVGRIQWSKL429 QVFDARDCTT439 AHGMFNYICN449 HVKYATNKGN459 LRSAITIFPQ 469 RTDGKHDFRV479 WNSQLIRYAG489 YKQPDGSTLG499 DPANVQFTEI509 CIQQGWKPPR 519 GRFDVLPLLL529 QANGNDPELF539 QIPPELVLEV549 PIRHPKFEWF559 KDLGLKWYGL 569 PAVSNMLLEI579 GGLEFSACPF589 SGWYMGTEIG599 VRDYCDNSRY609 NILEEVAKKM 619 NLDMRKTSSL629 WKDQALVEIN639 IAVLYSFQSD649 KVTIVDHHSA659 TESFIKHMEN 669 EYRCRGGCPA679 DWVWIVPPMS689 GSITPVFHQE699 MLNYRLTPSF709 EYQPDPWNTH 719 VWK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4D1N Structure of human nNOS heme domain with L-Arg bound | ||||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | Yes | [12] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSQHARRPE351 DVATKDQLFP 361 LAKEFIDQYY371 SSIKRFGSKA381 HMERLEEVNK391 EIDTTSTYQL401 KDTELIYGAK 411 HAWRNASRCV421 GRIQWSKLQV431 FDARDCTTAH441 GMFNYICNHV451 KYATNKGNLR 461 SAITIFPQRT471 DGKHDFRVWN481 SQLIRYAGYK491 QPDGSTLGDP501 ANVQFTEICI 511 QQGWKPPRGR521 FDVLPLLLQA531 NGNDPELFQI541 PPELVLEVPI551 RHPKFEWFKD 561 LGLKWYGLPA571 VSNMLLEIGG581 LEFSACPFSG591 WYMGTEIGVR601 DYCDNSRYNI 611 LEEVAKKMNL621 DMRKTSSLWK631 DQALVEINIA641 VLYSFQSDKV651 TIVDHHSATE 661 SFIKHMENEY671 RCRGGCPADW681 VWIVPPMSGS691 ITPVFHQEML701 NYRLTPSFEY 711 QPDPWNTHVW721
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4V3U Structure of human nNOS R354A G357D mutant heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl) propan-1-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
CPRFLKVKNW
311 ETEVVLTDTL321 HLKSTLETGC331 TEYICMGSIM341 HPSQHARRPE351 DVATKDQLFP 361 LAKEFIDQYY371 SSIKRFGSKA381 HMERLEEVNK391 EIDTTSTYQL401 KDTELIYGAK 411 HAWRNASRCV421 GRIQWSKLQV431 FDARDCTTAH441 GMFNYICNHV451 KYATNKGNLR 461 SAITIFPQRT471 DGKHDFRVWN481 SQLIRYAGYK491 QPDGSTLGDP501 ANVQFTEICI 511 QQGWKPPRGR521 FDVLPLLLQA531 NGNDPELFQI541 PPELVLEVPI551 RHPKFEWFKD 561 LGLKWYGLPA571 VSNMLLEIGG581 LEFSACPFSG591 WYMGTEIGVR601 DYCDNSRYNI 611 LEEVAKKMNL621 DMRKTSSLWK631 DQALVEINIA641 VLYSFQSDKV651 TIVDHHSATE 661 SFIKHMENEY671 RCRGGCPADW681 VWIVPPMSGS691 ITPVFHQEML701 NYRLTPSFEY 711 QPDPWNTHVW721
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4B or .H4B2 or .H4B3 or :3H4B;style chemicals stick;color identity;select .A:339 or .A:340 or .A:341 or .A:601 or .A:682 or .A:683; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg Med Chem. 2022 Sep 1;69:116878. | ||||
| REF 2 | Novel 2,4-disubstituted pyrimidines as potent, selective, and cell-permeable inhibitors of neuronal nitric oxide synthase. J Med Chem. 2015 Feb 12;58(3):1067-88. | ||||
| REF 3 | Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides. Biochemistry. 2018 Nov 6;57(44):6319-6325. | ||||
| REF 4 | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J Med Chem. 2019 Mar 14;62(5):2690-2707. | ||||
| REF 5 | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J Med Chem. 2017 Aug 24;60(16):7146-7165. | ||||
| REF 6 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J Med Chem. 2020 May 14;63(9):4528-4554. | ||||
| REF 7 | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem. 2017 Nov 22;60(22):9360-9375. | ||||
| REF 8 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J Med Chem. 2017 May 11;60(9):3958-3978. | ||||
| REF 9 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J Med Chem. 2015 Nov 12;58(21):8694-712. | ||||
| REF 10 | 2-Aminopyridines with a Truncated Side Chain To Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J Med Chem. 2015 Jul 23;58(14):5548-60. | ||||
| REF 11 | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J Med Chem. 2016 May 26;59(10):4913-25. | ||||
| REF 12 | Structures of human constitutive nitric oxide synthases. Acta Crystallogr D Biol Crystallogr. 2014 Oct;70(Pt 10):2667-74. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.