Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T12409 | Target Info | |||
| Target Name | Bacterial Glucosamine-6-phosphate synthase (Bact glmS) | ||||
| Synonyms | glmS; L-glutamine-D-fructose-6-phosphate amidotransferase; Hexosephosphate aminotransferase; Glucosamine--fructose-6-phosphate aminotransferase; GFAT; D-fructose-6-phosphate amidotransferase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | Bact glmS | ||||
| Biochemical Class | Transaminase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Fructose-6-phosphate | Ligand Info | |||||
| Structure Description | E.COLI GLUCOSAMINE-6P SYNTHASE IN COMPLEX WITH FRUCTOSE-6P | PDB:4AMV | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [1] |
| PDB Sequence |
CGIVGAIAQR
10 DVAEILLEGL20 RRLEYRGYDS30 AGLAVVDAEG40 HMTRLRRLGK50 VQMLAQAAEE 60 HPLHGGTGIA70 HTRWATHGEP80 SEVNAHPHVS90 EHIVVVHNGI100 IENHEPLREE 110 LKARGYTFVS120 ETDTEVIAHL130 VNWELKQGGT140 LREAVLRAIP150 QLRGAYGTVI 160 MDSRHPDTLL170 AARSGSPLVI180 GLGMGENFIA190 SDQLALLPVT200 RRFIFLEEGD 210 IAEITRRSVN220 IFDKTGAEVK230 RQDIESNLQY240 DAGDKGIYRH250 YMQKEIYEQP 260 NAIKNTLTGR270 ISHGQVDLSE280 LGPNADELLS290 KVEHIQILAC300 GTSYNSGMVS 310 RYWFESLAGI320 PCDVEIASEF330 RYRKSAVRRN340 SLMITLSQSG350 ETADTLAGLR 360 LSKELGYLGS370 LAICNVPGSS380 LVRESDLALM390 TNAGTEIGVA400 STKAFTTQLT 410 VLLMLVAKLS420 KLKGLDASIE430 HDIVHGLQAL440 PSRIEQMLSQ450 DKRIEALAED 460 FSDKHHALFL470 GRGDQYPIAL480 EGALKLKEIS490 YIHAEAYAAG500 ELKHGPLALI 510 DADMPVIVVA520 PNNELLEKLK530 SNIEEVRARG540 GQLYVFADQD550 AGFVSSDNMH 560 IIEMPHVEEV570 IAPIFYTVPL580 QLLAYHVALI590 KGTDVDQPRN600 LAKSVTVE |
|||||
|
|
CYS300
3.431
GLY301
3.163
THR302
3.010
SER303
2.760
LEU346
4.329
SER347
2.767
GLN348
2.807
SER349
2.635
GLY350
4.436
THR352
2.488
THR355
4.685
|
|||||
| Ligand Name: Glucosamine 6-phosphate | Ligand Info | |||||
| Structure Description | ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEXED WITH GLUCOSAMINE 6-PHOSPHATE | PDB:1MOQ | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | No | [2] |
| PDB Sequence |
GDKGIYRHYM
252 QKEIYEQPNA262 IKNTLTGRIS272 HGQVDLSELG282 PNADELLSKV292 EHIQILACGT 302 SYNSGMVSRY312 WFESLAGIPC322 DVEIASEFRY332 RKSAVRRNSL342 MITLSQSGET 352 ADTLAGLRLS362 KELGYLGSLA372 ICNVPGSSLV382 RESDLALMTN392 AGTEIGVAST 402 KAFTTQLTVL412 LMLVAKLSRL422 KGLDASIEHD432 IVHGLQALPS442 RIEQMLSQDK 452 RIEALAEDFS462 DKHHALFLGR472 GDQYPIALEG482 ALKLKEISYI492 HAEAYAAGEL 502 KHGPLALIDA512 DMPVIVVAPN522 NELLEKLKSN532 IEEVRARGGQ542 LYVFADQDAG 552 FVSSDNMHII562 EMPHVEEVIA572 PIFYTVPLQL582 LAYHVALIKG592 TDVDQPRNLA 602 KSVTVE
|
|||||
|
|
CYS300
3.500
GLY301
3.734
THR302
2.823
SER303
2.658
LEU346
4.280
SER347
2.773
GLN348
2.807
SER349
2.740
GLY350
4.499
THR352
2.726
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Alpha-D-Glucose-6-Phosphate | Ligand Info | |||||
| Structure Description | ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEXED WITH GLUCOSE 6-PHOSPHATE | PDB:1MOR | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [3] |
| PDB Sequence |
GDKGIYRHYM
252 QKEIYEQPNA262 IKNTLTGRIS272 HGQVDLSELG282 PNADELLSKV292 EHIQILACGT 302 SYNSGMVSRY312 WFESLAGIPC322 DVEIASEFRY332 RKSAVRRNSL342 MITLSQSGET 352 ADTLAGLRLS362 KELGYLGSLA372 ICNVPGSSLV382 RESDLALMTN392 AGTEIGVAST 402 KAFTTQLTVL412 LMLVAKLSRL422 KGLDASIEHD432 IVHGLQALPS442 RIEQMLSQDK 452 RIEALAEDFS462 DKHHALFLGR472 GDQYPIALEG482 ALKLKEISYI492 HAEAYAAGEL 502 KHGPLALIDA512 DMPVIVVAPN522 NELLEKLKSN532 IEEVRARGGQ542 LYVFADQDAG 552 FVSSDNMHII562 EMPHVEEVIA572 PIFYTVPLQL582 LAYHVALIKG592 TDVDQPRNLA 602 KSVTVE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G6P or .G6P2 or .G6P3 or :3G6P;style chemicals stick;color identity;select .A:300 or .A:301 or .A:302 or .A:303 or .A:346 or .A:347 or .A:348 or .A:349 or .A:350 or .A:352 or .A:355 or .A:399 or .A:400 or .A:401 or .A:408 or .A:488 or .A:602 or .A:603 or .A:604 or .A:605; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
CYS300
3.397
GLY301
3.740
THR302
2.821
SER303
2.762
LEU346
4.309
SER347
2.833
GLN348
2.824
SER349
2.757
GLY350
4.453
THR352
2.713
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-Deoxy-2-Amino Glucitol-6-Phosphate | Ligand Info | |||||
| Structure Description | ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEXED WITH 2-AMINO-2-DEOXYGLUCITOL 6-PHOSPHATE | PDB:1MOS | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
AGDKGIYRHY
251 MQKEIYEQPN261 AIKNTLTGRI271 SHGQVDLSEL281 GPNADELLSK291 VEHIQILACG 301 TSYNSGMVSR311 YWFESLAGIP321 CDVEIASEFR331 YRKSAVRRNS341 LMITLSQSGE 351 TADTLAGLRL361 SKELGYLGSL371 AICNVPGSSL381 VRESDLALMT391 NAGTEIGVAS 401 TKAFTTQLTV411 LLMLVAKLSR421 LKGLDASIEH431 DIVHGLQALP441 SRIEQMLSQD 451 KRIEALAEDF461 SDKHHALFLG471 RGDQYPIALE481 GALKLKEISY491 IHAEAYAAGE 501 LKHGPLALID511 ADMPVIVVAP521 NNELLEKLKS531 NIEEVRARGG541 QLYVFADQDA 551 GFVSSDNMHI561 IEMPHVEEVI571 APIFYTVPLQ581 LLAYHVALIK591 GTDVDQPRNL 601 AKSVTVE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AGP or .AGP2 or .AGP3 or :3AGP;style chemicals stick;color identity;select .A:300 or .A:301 or .A:302 or .A:303 or .A:346 or .A:347 or .A:348 or .A:349 or .A:350 or .A:352 or .A:355 or .A:399 or .A:400 or .A:401 or .A:408 or .A:484 or .A:485 or .A:488 or .A:602 or .A:603 or .A:604 or .A:605; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
CYS300
3.270
GLY301
3.264
THR302
2.839
SER303
2.621
LEU346
4.164
SER347
2.966
GLN348
2.833
SER349
2.878
GLY350
4.590
THR352
2.596
THR355
4.661
|
|||||
| Ligand Name: Glutamine Hydroxamate | Ligand Info | |||||
| Structure Description | Glutaminase domain of glucosamine 6-phosphate synthase complexed with l-glu hydroxamate | PDB:1XFG | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [4] |
| PDB Sequence |
CGIVGAIAQR
10 DVAEILLEGL20 RRLEYRGYDS30 AGLAVVDAEG40 HMTRLRRLGK50 VQMLAQAAEE 60 HPLHGGTGIA70 HTRWATHGEP80 SEVNAHPHVS90 EHIVVVHNGI100 IENHEPLREE 110 LKARGYTFVS120 ETDTEVIAHL130 VNWELKQGGT140 LREAVLRAIP150 QLRGAYGTVI 160 MDSRHPDTLL170 AARSGSPLVI180 GLGMGENFIA190 SDQLALLPVT200 RRFIFLEEGD 210 IAEITRRSVN220 IFDKTGAEVK230 RQDIESNL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HGA or .HGA2 or .HGA3 or :3HGA;style chemicals stick;color identity;select .A:1 or .A:71 or .A:72 or .A:73 or .A:74 or .A:75 or .A:76 or .A:77 or .A:84 or .A:86 or .A:97 or .A:98 or .A:99 or .A:100 or .A:122 or .A:123 or .A:124; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Oxo-L-norleucine | Ligand Info | |||||
| Structure Description | E. coli glucosamine-6-P synthase in complex with glucose-6P and 5-oxo- L-norleucine | PDB:2J6H | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [1] |
| PDB Sequence |
CGIVGAIAQR
10 DVAEILLEGL20 RRLEYRGYDS30 AGLAVVDAEG40 HMTRLRRLGK50 VQMLAQAAEE 60 HPLHGGTGIA70 HTRWATHGEP80 SEVNAHPHVS90 EHIVVVHNGI100 IENHEPLREE 110 LKARGYTFVS120 ETDTEVIAHL130 VNWELKQGGT140 LREAVLRAIP150 QLRGAYGTVI 160 MDSRHPDTLL170 AARSGSPLVI180 GLGMGENFIA190 SDQLALLPVT200 RRFIFLEEGD 210 IAEITRRSVN220 IFDKTGAEVK230 RQDIESNLQY240 DAGDKGIYRH250 YMQKEIYEQP 260 NAIKNTLTGR270 ISHGQVDLSE280 LGPNADELLS290 KVEHIQILAC300 GTSYNSGMVS 310 RYWFESLAGI320 PCDVEIASEF330 RYRKSAVRRN340 SLMITLSQSG350 ETADTLAGLR 360 LSKELGYLGS370 LAICNVPGSS380 LVRESDLALM390 TNAGTEIGVA400 STKAFTTQLT 410 VLLMLVAKLS420 RLKGLDASIE430 HDIVHGLQAL440 PSRIEQMLSQ450 DKRIEALAED 460 FSDKHHALFL470 GRGDQYPIAL480 EGALKLKEIS490 YIHAEAYAAG500 ELKHGPLALI 510 DADMPVIVVA520 PNNELLEKLK530 SNIEEVRARG540 GQLYVFADQD550 AGFVSSDNMH 560 IIEMPHVEEV570 IAPIFYTVPL580 QLLAYHVALI590 KGTDVDQPRN600 LAKSVTVE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ONL or .ONL2 or .ONL3 or :3ONL;style chemicals stick;color identity;select .A:1 or .A:71 or .A:73 or .A:74 or .A:75 or .A:76 or .A:77 or .A:84 or .A:86 or .A:97 or .A:98 or .A:99 or .A:100 or .A:122 or .A:123 or .A:124 or .A:606 or .A:607; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: D-Glucose 6-phosphate | Ligand Info | |||||
| Structure Description | E. coli glucosamine-6-P synthase in complex with glucose-6P and 5-oxo- L-norleucine | PDB:2J6H | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [1] |
| PDB Sequence |
CGIVGAIAQR
10 DVAEILLEGL20 RRLEYRGYDS30 AGLAVVDAEG40 HMTRLRRLGK50 VQMLAQAAEE 60 HPLHGGTGIA70 HTRWATHGEP80 SEVNAHPHVS90 EHIVVVHNGI100 IENHEPLREE 110 LKARGYTFVS120 ETDTEVIAHL130 VNWELKQGGT140 LREAVLRAIP150 QLRGAYGTVI 160 MDSRHPDTLL170 AARSGSPLVI180 GLGMGENFIA190 SDQLALLPVT200 RRFIFLEEGD 210 IAEITRRSVN220 IFDKTGAEVK230 RQDIESNLQY240 DAGDKGIYRH250 YMQKEIYEQP 260 NAIKNTLTGR270 ISHGQVDLSE280 LGPNADELLS290 KVEHIQILAC300 GTSYNSGMVS 310 RYWFESLAGI320 PCDVEIASEF330 RYRKSAVRRN340 SLMITLSQSG350 ETADTLAGLR 360 LSKELGYLGS370 LAICNVPGSS380 LVRESDLALM390 TNAGTEIGVA400 STKAFTTQLT 410 VLLMLVAKLS420 RLKGLDASIE430 HDIVHGLQAL440 PSRIEQMLSQ450 DKRIEALAED 460 FSDKHHALFL470 GRGDQYPIAL480 EGALKLKEIS490 YIHAEAYAAG500 ELKHGPLALI 510 DADMPVIVVA520 PNNELLEKLK530 SNIEEVRARG540 GQLYVFADQD550 AGFVSSDNMH 560 IIEMPHVEEV570 IAPIFYTVPL580 QLLAYHVALI590 KGTDVDQPRN600 LAKSVTVE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G6Q or .G6Q2 or .G6Q3 or :3G6Q;style chemicals stick;color identity;select .A:300 or .A:301 or .A:302 or .A:303 or .A:346 or .A:347 or .A:348 or .A:349 or .A:350 or .A:352 or .A:355 or .A:399 or .A:400 or .A:401 or .A:408 or .A:484 or .A:485 or .A:488 or .A:603 or .A:604 or .A:605; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
CYS300
3.516
GLY301
3.570
THR302
3.099
SER303
2.690
LEU346
4.312
SER347
2.859
GLN348
2.833
SER349
2.780
GLY350
4.512
THR352
2.505
THR355
4.529
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Glutamine binding opens the ammonia channel and activates glucosamine-6P synthase. J Biol Chem. 2006 Feb 17;281(7):4404-12. | ||||
| REF 2 | Involvement of the C terminus in intramolecular nitrogen channeling in glucosamine 6-phosphate synthase: evidence from a 1.6 A crystal structure of the isomerase domain. Structure. 1998 Aug 15;6(8):1047-55. | ||||
| REF 3 | The mechanism of sugar phosphate isomerization by glucosamine 6-phosphate synthase. Protein Sci. 1999 Mar;8(3):596-602. | ||||
| REF 4 | Substrate binding is required for assembly of the active conformation of the catalytic site in Ntn amidotransferases: evidence from the 1.8 A crystal structure of the glutaminase domain of glucosamine 6-phosphate synthase. Structure. 1996 Jul 15;4(7):801-10. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.