Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T12808 | Target Info | |||
| Target Name | Protein kinase C alpha (PRKCA) | ||||
| Synonyms | Protein kinase C alpha type; PRKACA; PKCalpha; PKCA; PKC-alpha; PKC-A | ||||
| Target Type | Successful Target | ||||
| Gene Name | PRKCA | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | PDB:4RA4 | ||||
| Method | X-ray diffraction | Resolution | 2.63 Å | Mutation | Yes | [1] |
| PDB Sequence |
DRVKLTDFNF
341 LMVLGKGSFG351 KVMLADRKGT361 EELYAIKILK371 KDVVIQDDDV381 ECTMVEKRVL 391 ALLDKPPFLT401 QLHSCFQTVD411 RLYFVMEYVN421 GGDLMYHIQQ431 VGKFKEPQAV 441 FYAAEISIGL451 FFLHKRGIIY461 RDLKLDNVML471 DSEGHIKIAD481 FGMCKEHMMD 491 GVTTRFCGTP502 DYIAPEIIAY512 QPYGKSVDWW522 AYGVLLYEML532 AGQPPFDGED 542 EDELFQSIME552 HNVSYPKSLS562 KEAVSICKGL572 MTKHPAKRLG582 CGPEGERDVR 592 EHAFFRRIDW602 EKLENREIQP612 PFKPKGQPVL637 PPDQLVIANI648 DQSDFEGFYV 659 NPQFVHP
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Phosphonothreonine | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | PDB:4RA4 | ||||
| Method | X-ray diffraction | Resolution | 2.63 Å | Mutation | Yes | [1] |
| PDB Sequence |
DRVKLTDFNF
341 LMVLGKGSFG351 KVMLADRKGT361 EELYAIKILK371 KDVVIQDDDV381 ECTMVEKRVL 391 ALLDKPPFLT401 QLHSCFQTVD411 RLYFVMEYVN421 GGDLMYHIQQ431 VGKFKEPQAV 441 FYAAEISIGL451 FFLHKRGIIY461 RDLKLDNVML471 DSEGHIKIAD481 FGMCKEHMMD 491 GVTTRFCGTP502 DYIAPEIIAY512 QPYGKSVDWW522 AYGVLLYEML532 AGQPPFDGED 542 EDELFQSIME552 HNVSYPKSLS562 KEAVSICKGL572 MTKHPAKRLG582 CGPEGERDVR 592 EHAFFRRIDW602 EKLENREIQP612 PFKPKGQPVL637 PPDQLVIANI648 DQSDFEGFYV 659 NPQFVHP
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Sotrastaurin | Ligand Info | |||||
| Structure Description | Crystal structure of PKC alpha in complex with NVP-AEB071 | PDB:3IW4 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
LDRVKLTDFN
340 FLMVLGKGSF350 GKVMLADRKG360 TEELYAIKIL370 KKDVVIQDDD380 VECTMVEKRV 390 LALLDKPPFL400 TQLHSCFQTV410 DRLYFVMEYV420 NGGDLMYHIQ430 QVGKFKEPQA 440 VFYAAEISIG450 LFFLHKRGII460 YRDLKLDNVM470 LDSEGHIKIA480 DFGMCKEHMM 490 DGVTTREFCG500 TPDYIAPEII510 AYQPYGKSVD520 WWAYGVLLYE530 MLAGQPPFDG 540 EDEDELFQSI550 MEHNVSYPKS560 LSKEAVSICK570 GLMTKHPAKR580 LGCGPEGERD 590 VREHAFFRRI600 DWEKLENREI610 QPPFKPKVFD627 KFFTRGQPVL637 PPDQLVIANI 648 DQSDFEGFYV659 NPQFVHPILQ669
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LW4 or .LW42 or .LW43 or :3LW4;style chemicals stick;color identity;select .A:345 or .A:346 or .A:350 or .A:353 or .A:366 or .A:368 or .A:387 or .A:401 or .A:417 or .A:418 or .A:419 or .A:420 or .A:424 or .A:467 or .A:468 or .A:470 or .A:480 or .A:481; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (1r)-9-[(3s,4s)-1,3-Dimethylpiperidin-4-Yl]-8-(2-Fluorophenyl)-1-Methyl-3,5-Dihydro[1,2,4]triazino[3,4-C][1,4]benzoxazin-2(1h)-One | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | PDB:4RA4 | ||||
| Method | X-ray diffraction | Resolution | 2.63 Å | Mutation | Yes | [1] |
| PDB Sequence |
DRVKLTDFNF
341 LMVLGKGSFG351 KVMLADRKGT361 EELYAIKILK371 KDVVIQDDDV381 ECTMVEKRVL 391 ALLDKPPFLT401 QLHSCFQTVD411 RLYFVMEYVN421 GGDLMYHIQQ431 VGKFKEPQAV 441 FYAAEISIGL451 FFLHKRGIIY461 RDLKLDNVML471 DSEGHIKIAD481 FGMCKEHMMD 491 GVTTRFCGTP502 DYIAPEIIAY512 QPYGKSVDWW522 AYGVLLYEML532 AGQPPFDGED 542 EDELFQSIME552 HNVSYPKSLS562 KEAVSICKGL572 MTKHPAKRLG582 CGPEGERDVR 592 EHAFFRRIDW602 EKLENREIQP612 PFKPKGQPVL637 PPDQLVIANI648 DQSDFEGFYV 659 NPQFVHP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3KZ or .3KZ2 or .3KZ3 or :33KZ;style chemicals stick;color identity;select .A:345 or .A:346 or .A:347 or .A:350 or .A:353 or .A:366 or .A:368 or .A:401 or .A:417 or .A:418 or .A:419 or .A:420 or .A:424 or .A:465 or .A:467 or .A:468 or .A:470 or .A:480 or .A:481; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Optimized protein kinase C-Theta (PKC-Theta) inhibitors reveal only modest anti-inflammatory efficacy in a rodent model of arthritis. J Med Chem. 2015 Jan 8;58(1):333-46. | ||||
| REF 2 | Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes. J Med Chem. 2009 Oct 22;52(20):6193-6. | ||||
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