Target Binding Site Detail
Target General Information | Top | ||||
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Target ID | T85943 | Target Info | |||
Target Name | Proto-oncogene c-Src (SRC) | ||||
Synonyms | pp60c-src; Tyrosine kinase (pp60(src)); Src tyrosine kinase; SRC1; Proto-oncogene tyrosine-protein kinase Src; Pp60(src); P60-Src; C-src TK; C-Src | ||||
Target Type | Successful Target | ||||
Gene Name | SRC | ||||
Biochemical Class | Kinase | ||||
UniProt ID |
Ligand General Information | Top | ||||
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Ligand Name | Phosphonotyrosine | Ligand Info | |||
Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O | ||||
InChI | 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | ||||
InChIKey | DCWXELXMIBXGTH-QMMMGPOBSA-N | ||||
PubChem Compound ID | 30819 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 2H8H Src kinase in complex with a quinazoline inhibitor | ||||||
Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
PDB Sequence |
TFVALYDYES
94 RTETDLSFKK104 GERLQIVNNT114 EGDWWLAHSL124 STGQTGYIPS134 NYVAPSDSIQ 144 AEEWYFGKIT154 RRESERLLLN164 AENPRGTFLV174 RESETTKGAY184 CLSVSDFDNA 194 KGLNVKHYKI204 RKLDSGGFYI214 TSRTQFNSLQ224 QLVAYYSKHA234 DGLCHRLTTV 244 CPTSKPQTQG254 LAKDAWEIPR264 ESLRLEVKLG274 QGCFGEVWMG284 TWNGTTRVAI 294 KTLKPGTMSP304 EAFLQEAQVM314 KKLRHEKLVQ324 LYAVVSEEPI334 YIVTEYMSKG 344 SLLDFLKGET354 GKYLRLPQLV364 DMAAQIASGM374 AYVERMNYVH384 RDLRAANILV 394 GENLVCKVAD404 FGLARLIEDN414 EYTARQGAKF424 PIKWTAPEAA434 LYGRFTIKSD 444 VWSFGILLTE454 LTTKGRVPYP464 GMVNREVLDQ474 VERGYRMPCP484 PECPESLHDL 494 MCQCWRKEPE504 ERPTFEYLQA514 FLEDYFTSTE524 PQQP
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PDB ID: 2SRC CRYSTAL STRUCTURE OF HUMAN TYROSINE-PROTEIN KINASE C-SRC, IN COMPLEX WITH AMP-PNP | ||||||
Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [2] |
PDB Sequence |
TTFVALYDYE
93 SRTETDLSFK103 KGERLQIVNN113 TEGDWWLAHS123 LSTGQTGYIP133 SNYVAPSDSI 143 QAEEWYFGKI153 TRRESERLLL163 NAENPRGTFL173 VRESETTKGA183 YCLSVSDFDN 193 AKGLNVKHYK203 IRKLDSGGFY213 ITSRTQFNSL223 QQLVAYYSKH233 ADGLCHRLTT 243 VCPTSKPQTQ253 GLAKDAWEIP263 RESLRLEVKL273 GQGCFGEVWM283 GTWNGTTRVA 293 IKTLKPGTMS303 PEAFLQEAQV313 MKKLRHEKLV323 QLYAVVSEEP333 IYIVTEYMSK 343 GSLLDFLKGE353 TGKYLRLPQL363 VDMAAQIASG373 MAYVERMNYV383 HRDLRAANIL 393 VGENLVCKVA403 DFGLARLIED413 NEYTARQGAK423 FPIKWTAPEA433 ALYGRFTIKS 443 DVWSFGILLT453 ELTTKGRVPY463 PGMVNREVLD473 QVERGYRMPC483 PPECPESLHD 493 LMCQCWRKEP503 EERPTFEYLQ513 AFLEDYFTST523 EPQQPGENL
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PDB ID: 1KSW Structure of Human c-Src Tyrosine Kinase (Thr338Gly Mutant) in Complex with N6-benzyl ADP | ||||||
Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [3] |
PDB Sequence |
TTFVALYDYE
93 SRTETDLSFK103 KGERLQIVNN113 TEGDWWLAHS123 LSTGQTGYIP133 SNYVAPSDSI 143 QAEEWYFGKI153 TRRESERLLL163 NAENPRGTFL173 VRESETTKGA183 YCLSVSDFDN 193 AKGLNVKHYK203 IRKLDSGGFY213 ITSRTQFNSL223 QQLVAYYSKH233 ADGLCHRLTT 243 VCPTSKPQTQ253 GLAKDAWEIP263 RESLRLEVKL273 GQGCFGEVWM283 GTWNGTTRVA 293 IKTLKPGTMS303 PEAFLQEAQV313 MKKLRHEKLV323 QLYAVVSEEP333 IYIVGEYMSK 343 GSLLDFLKGE353 TGKYLRLPQL363 VDMAAQIASG373 MAYVERMNYV383 HRDLRAANIL 393 VGENLVCKVA403 DFGLARLIED413 NEYTARQGAK423 FPIKWTAPEA433 ALYGRFTIKS 443 DVWSFGILLT453 ELTTKGRVPY463 PGMVNREVLD473 QVERGYRMPC483 PPECPESLHD 493 LMCQCWRKEP503 EERPTFEYLQ513 AFLEDYFTST523 EPQQPGENL
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PDB ID: 4K11 The structure of 1NA in complex with Src T338G | ||||||
Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [4] |
PDB Sequence |
TTFVALYDYE
93 SRTETDLSFK103 KGERLQIVNN113 TEGDWWLAHS123 LSTGQTGYIP133 SNYVAPSDSI 143 QAEEWYFGKI153 TRRESERLLL163 NAENPRGTFL173 VRESETTKGA183 YCLSVSDFDN 193 AKGLNVKHYK203 IRKLDSGGFY213 ITSRTQFNSL223 QQLVAYYSKH233 ADGLCHRLTT 243 VCPTSKPQTQ253 GLAKDAWEIP263 RESLRLEVKL273 GQGCFGEVWM283 GTWNGTTRVA 293 IKTLKPGTMS303 PEAFLQEAQV313 MKKLRHEKLV323 QLYAVVSEEP333 IYIVGEYMSK 343 GSLLDFLKGE353 TGKYLRLPQL363 VDMAAQIASG373 MAYVERMNYV383 HRDLRAANIL 393 VGENLVCKVA403 DFGLARLIED413 NEYTARQGAK423 FPIKWTAPEA433 ALYGRFTIKS 443 DVWSFGILLT453 ELTTKGRVPY463 PGMVNREVLD473 QVERGYRMPC483 PPECPESLHD 493 LMCQCWRKEP503 EERPTFEYLQ513 AFLEDYFTST523 EPQQPGE
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:155 or .A:175 or .A:176 or .A:177 or .A:178 or .A:179 or .A:180 or .A:185 or .A:201 or .A:202 or .A:203 or .A:525 or .A:526 or .A:528 or .A:529; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 4F5B Triple mutant Src SH2 domain bound to phosphotyrosine | ||||||
Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | Yes | [5] |
PDB Sequence |
DSIQAEEWYF
153 GKITRRESER163 LLLNAENPRG173 TFLVRESETV183 KGAYALSVSD193 FDNAKGLNVK 203 HYLIRKLDSG213 GFYITSRTQF223 NSLQQLVAYY233 SKHADGLCHR243 LTTVCPTS |
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:158 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:188 or .A:204 or .A:205 or .A:206; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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References | Top | ||||
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REF 1 | N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a novel, highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor. J Med Chem. 2006 Nov 2;49(22):6465-88. | ||||
REF 2 | Crystal structures of c-Src reveal features of its autoinhibitory mechanism. Mol Cell. 1999 May;3(5):629-38. | ||||
REF 3 | Mutant tyrosine kinases with unnatural nucleotide specificity retain the structure and phospho-acceptor specificity of the wild-type enzyme. Chem Biol. 2002 Jan;9(1):25-33. | ||||
REF 4 | The structure of 1NA in complex with Src T338G | ||||
REF 5 | Superbinder SH2 domains act as antagonists of cell signaling. Sci Signal. 2012 Sep 25;5(243):ra68. |
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