Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Ponatinib | Ligand Info | |||||
| Structure Description | Src Kinase Domain in complex with ponatinib | PDB:7OTE | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [1] |
| PDB Sequence |
DAWEIPRESL
270 RLEVKLGQGC280 FGEVWMGTWN290 GTTRVAIKTL300 KPGTMSPEAF310 LQEAQVMKKL 320 RHEKLVQLYA330 VVSEEPIYIV340 TEYMSKGSLL350 DFLKGETGKY360 LRLPQLVDMA 370 AQIASGMAYV380 ERMNYVHRDL390 RAANILVGEN400 LVCKVADFGF427 PIKWTAPEAA 437 LYGRFTIKSD447 VWSFGILLTE457 LTTKGRVPYP467 GMVNREVLDQ477 VERGYRMPCP 487 PECPESLHDL497 MCQCWRKEPE507 ERPTFEYLQA517 FLEDYFTSTE527 PQYQPGENL |
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|
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LEU276
4.407
VAL284
3.832
ALA296
3.583
ILE297
3.574
LYS298
2.467
GLU313
2.929
VAL316
3.974
MET317
3.480
LEU320
4.323
LEU325
3.144
VAL326
3.912
ILE339
4.175
THR341
3.308
GLU342
3.638
TYR343
3.405
|
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| Ligand Name: Bosutinib | Ligand Info | |||||
| Structure Description | human Src kinase bound to kinase inhibitor bosutinib | PDB:4MXO | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
KDAWEIPRES
266 LRLEVKLGQG276 CFGEVWMGTW286 NGTTRVAIKT296 LKPGTMSPEA306 FLQEAQVMKK 316 LRHEKLVQLY326 AVVSEEPIYI336 VTEYMSKGSL346 LDFLKGETGK356 YLRLPQLVDM 366 AAQIASGMAY376 VERMNYVHRD386 LRAANILVGE396 NLVCKVADFG406 LARLIEFPIK 427 WTAPEAALYG437 RFTIKSDVWS447 FGILLTELTT457 KGRVPYPGMV467 NREVLDQVER 477 GYRMPCPPEC487 PESLHDLMCQ497 CWRKEPEERP507 TFEYLQAFLE517 DYFTSTEPQY 527 QPGENL
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LEU273
3.454
GLY274
4.949
VAL281
3.911
ALA293
3.007
ILE294
3.566
LYS295
3.284
GLU310
3.278
MET314
3.364
VAL323
3.475
ILE336
3.441
VAL337
4.286
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Saracatinib | Ligand Info | |||||
| Structure Description | Src kinase in complex with a quinazoline inhibitor | PDB:2H8H | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [3] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H8H or .H8H2 or .H8H3 or :3H8H;style chemicals stick;color identity;select .A:273 or .A:274 or .A:281 or .A:293 or .A:294 or .A:295 or .A:336 or .A:338 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:345 or .A:390 or .A:391 or .A:393 or .A:403 or .A:404; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU273
3.119
GLY274
3.889
VAL281
3.365
ALA293
3.291
ILE294
4.020
LYS295
3.270
ILE336
3.812
THR338
3.095
GLU339
3.319
TYR340
3.138
|
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| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN TYROSINE-PROTEIN KINASE C-SRC, IN COMPLEX WITH AMP-PNP | PDB:2SRC | ||||
| Method | X-ray diffraction | Resolution | 1.50 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 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .A:273 or .A:274 or .A:275 or .A:276 or .A:277 or .A:278 or .A:279 or .A:281 or .A:293 or .A:295 or .A:323 or .A:338 or .A:339 or .A:340 or .A:341 or .A:342 or .A:344 or .A:345 or .A:348 or .A:386 or .A:388 or .A:390 or .A:391 or .A:393 or .A:404; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU273
3.390
GLY274
4.198
GLN275
4.412
GLY276
3.069
CYS277
4.070
PHE278
4.923
GLY279
4.384
VAL281
3.462
ALA293
3.528
LYS295
2.957
VAL323
4.711
THR338
3.529
GLU339
3.062
|
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| Ligand Name: Phosphonotyrosine | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN TYROSINE-PROTEIN KINASE C-SRC, IN COMPLEX WITH AMP-PNP | PDB:2SRC | ||||
| Method | X-ray diffraction | Resolution | 1.50 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 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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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:185 or .A:201 or .A:202 or .A:203 or .A:524 or .A:525 or .A:526 or .A:528 or .A:529; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Imatinib and nilotinib derivative 1 | Ligand Info | |||||
| Structure Description | Structure of unphosphorylated c-Src in complex with an inhibitor | PDB:1Y57 | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [5] |
| PDB Sequence |
MVTTFVALYD
91 YESRTETDLS101 FKKGERLQIV111 NNTEGDWWLA121 HSLSTGQTGY131 IPSNYVAPSD 141 SIQAEEWYFG151 KITRRESERL161 LLNAENPRGT171 FLVRESETTK181 GAYCLSVSDF 191 DNAKGLNVKH201 YKIRKLDSGG211 FYITSRTQFN221 SLQQLVAYYS231 KHADGLCHRL 241 TTVCPTSKPQ251 TQGLAKDAWE261 IPRESLRLEV271 KLGQGCFGEV281 WMGTWNGTTR 291 VAIKTLKPGT301 MSPEAFLQEA311 QVMKKLRHEK321 LVQLYAVVSE331 EPIYIVTEYM 341 SKGSLLDFLK351 GETGKYLRLP361 QLVDMAAQIA371 SGMAYVERMN381 YVHRDLRAAN 391 ILVGENLVCK401 VADFGLARLI411 EDNEYTARQG421 AKFPIKWTAP431 EAALYGRFTI 441 KSDVWSFGIL451 LTELTTKGRV461 PYPGMVNREV471 LDQVERGYRM481 PCPPECPESL 491 HDLMCQCWRK501 EPEERPTFEY511 LQAFLEDYFT521 STEPQYQPGE531 NL |
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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 .MPZ or .MPZ2 or .MPZ3 or :3MPZ;style chemicals stick;color identity;select .A:273 or .A:274 or .A:275 or .A:276 or .A:281 or .A:293 or .A:295 or .A:323 or .A:338 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:345 or .A:348 or .A:393; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N6-Benzyl Adenosine-5'-Diphosphate | Ligand Info | |||||
| Structure Description | Structure of Human c-Src Tyrosine Kinase (Thr338Gly Mutant) in Complex with N6-benzyl ADP | PDB:1KSW | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [6] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NBS or .NBS2 or .NBS3 or :3NBS;style chemicals stick;color identity;select .A:273 or .A:274 or .A:275 or .A:276 or .A:277 or .A:280 or .A:281 or .A:293 or .A:294 or .A:295 or .A:323 or .A:324 or .A:325 or .A:336 or .A:337 or .A:338 or .A:339 or .A:340 or .A:341 or .A:342 or .A:344 or .A:345 or .A:348 or .A:388 or .A:390 or .A:391 or .A:393 or .A:404; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU273
3.644
GLY274
3.993
GLN275
4.467
GLY276
2.800
CYS277
3.812
GLU280
4.963
VAL281
3.197
ALA293
3.007
ILE294
3.910
LYS295
2.451
VAL323
3.436
GLN324
4.735
LEU325
4.929
ILE336
3.301
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| Ligand Name: Purvalanol A | Ligand Info | |||||
| Structure Description | Crystal structure of Src kinase domain in complex with Purvalanol A | PDB:1YOM | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | Yes | [7] |
| PDB Sequence |
LAKDAWEIPR
266 ESLRLEVKLG276 QGCFGEVWMG286 TWNGTTRVAI296 KTLKPGTMSP306 EAFLQEAQVM 316 KKLRHEKLVQ326 LYAVVSEEPI336 YIVTEYMNKG346 SLLDFLKGET356 GKYLRLPQLV 366 DMSAQIASGM376 AYVERMNYVH386 RDLRAANILV396 GENLVCKVAD406 FPIKWTAPEA 435 ALYGRFTIKS445 DVWSFGILLT455 ELTTKGRVPY465 PGMVNREVLD475 QVERGYRMPC 485 PPECPESLHD495 LMCQCWRKEP505 EERPTFEYLQ515 AFLEDYFTST525 EPQYQPGENL 535
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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 .P01 or .P012 or .P013 or :3P01;style chemicals stick;color identity;select .A:275 or .A:276 or .A:277 or .A:283 or .A:295 or .A:297 or .A:325 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:345 or .A:346 or .A:347 or .A:350 or .A:392 or .A:395 or .A:405 or .A:406; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU275
3.460
GLY276
3.719
GLN277
4.496
VAL283
3.447
ALA295
3.213
LYS297
4.472
VAL325
3.438
THR340
2.939
GLU341
2.998
TYR342
3.128
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| Ligand Name: RU78783 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78783. | PDB:1O4R | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCP |
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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 .787 or .7872 or .7873 or :3787;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:60 or .A:61 or .A:62; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: RU82129 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82129. | PDB:1O43 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .821 or .8212 or .8213 or :3821;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:43 or .A:44 or .A:59 or .A:60 or .A:61 or .A:62 or .A:63 or .A:73 or .A:74 or .A:89 or .A:93 or .A:94 or .A:95 or .A:96; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: RU82197 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82197. | PDB:1O4A | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .197 or .1972 or .1973 or :3197;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:59 or .A:60 or .A:61 or .A:62 or .A:73 or .A:74 or .A:89 or .A:93 or .A:94 or .A:95 or .A:96; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cysteine Sulfenic Acid | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH DPI59. | PDB:1O4G | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYLSVSDFD51 NAKGLNVKHY 61 KIRKLDSGGF71 YITSRTQFNS81 LQQLVAYYSK91 HADGLCHRLT101 TVCPT |
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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 .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:14 or .A:32 or .A:33 or .A:34 or .A:35 or .A:36 or .A:37 or .A:42 or .A:43 or .A:45 or .A:46 or .A:60 or .A:61 or .A:62 or .A:63; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: DPI59 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH DPI59. | PDB:1O4G | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYLSVSDFD51 NAKGLNVKHY 61 KIRKLDSGGF71 YITSRTQFNS81 LQQLVAYYSK91 HADGLCHRLT101 TVCPT |
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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 .I59 or .I592 or .I593 or :3I59;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:60 or .A:62; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: RU85053 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85053. | PDB:1O48 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .853 or .8532 or .8533 or :3853;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:44 or .A:59 or .A:60 or .A:61 or .A:62 or .A:73 or .A:74 or .A:89 or .A:93 or .A:94 or .A:95 or .A:96; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PASBN | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PASBN. | PDB:1O4K | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .PSN or .PSN2 or .PSN3 or :3PSN;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:60 or .A:61 or .A:62; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Oxalic acid | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH OXALIC ACID. | PDB:1O4N | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .OXD or .OXD2 or .OXD3 or :3OXD;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:44 or .A:60 or .A:62; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: ISO24 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH ISO24. | PDB:1O4J | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .IS2 or .IS22 or .IS23 or :3IS2;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:44 or .A:60 or .A:62; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phenylphosphate | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PHENYLPHOSPHATE. | PDB:1O4O | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .HPS or .HPS2 or .HPS3 or :3HPS;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:44 or .A:49 or .A:51 or .A:54 or .A:57 or .A:59 or .A:60 or .A:61 or .A:62 or .A:95 or .A:96 or .A:97; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: RU78300 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78300. | PDB:1O41 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .300 or .3002 or .3003 or :3300;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:43 or .A:44 or .A:60 or .A:61 or .A:62; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: RU81843 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU81843. | PDB:1O42 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .843 or .8432 or .8433 or :3843;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:44 or .A:59 or .A:60 or .A:61 or .A:62 or .A:73 or .A:74 or .A:89 or .A:93 or .A:94 or .A:95 or .A:96; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: RU85493 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85493. | PDB:1O49 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .493 or .4932 or .4933 or :3493;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:44 or .A:59 or .A:60 or .A:61 or .A:62 or .A:73 or .A:74 or .A:89 or .A:93 or .A:94 or .A:95 or .A:96; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PAS219 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PAS219. | PDB:1O4I | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .219 or .2192 or .2193 or :3219;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:60 or .A:61 or .A:62; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: RU82209 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82209. | PDB:1O47 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .822 or .8222 or .8223 or :3822;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:59 or .A:60 or .A:61 or .A:62 or .A:73 or .A:74 or .A:89 or .A:93 or .A:94 or .A:95 or .A:96; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: RU84687 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU84687. | PDB:1O45 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .687 or .6872 or .6873 or :3687;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:42 or .A:43 or .A:44 or .A:59 or .A:60 or .A:61 or .A:62 or .A:63 or .A:73 or .A:74 or .A:89 or .A:93 or .A:94 or .A:95 or .A:96; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: RU78262 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78262. | PDB:1O4D | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCP |
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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 .262 or .2622 or .2623 or :3262;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:43 or .A:44 or .A:45 or .A:60 or .A:61 or .A:62; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: RU83876 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU83876. | PDB:1O4B | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .876 or .8762 or .8763 or :3876;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:59 or .A:60 or .A:61 or .A:62 or .A:73 or .A:74 or .A:89 or .A:93 or .A:94 or .A:95 or .A:96; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: RU78191 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78791. | PDB:1O4P | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCP |
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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 .791 or .7912 or .7913 or :3791;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:44 or .A:60 or .A:61 or .A:62; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: RU78299 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78299. | PDB:1O4E | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .299 or .2992 or .2993 or :3299;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:43 or .A:44 or .A:45 or .A:60 or .A:61 or .A:62; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: RU79073 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79073. | PDB:1O4F | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYLSVSDFD51 NAKGLNVKHY 61 KIRKLDSGGF71 YITSRTQFNS81 LQQLVAYYSK91 HADGLCHRLT101 TVCP |
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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 .790 or .7902 or .7903 or :3790;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:60 or .A:62; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: RU90395 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU90395. | PDB:1O46 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .903 or .9032 or .9033 or :3903;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:44 or .A:59 or .A:60 or .A:61 or .A:62 or .A:73 or .A:74 or .A:89 or .A:93 or .A:94 or .A:95 or .A:96; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: RU79072 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79072. | PDB:1O4H | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .772 or .7722 or .7723 or :3772;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:44 or .A:60 or .A:62; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Ligand Info | |||||
| Structure Description | The structure of 1NA in complex with Src T338G | PDB:4K11 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [9] |
| 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 .0J9 or .0J92 or .0J93 or :30J9;style chemicals stick;color identity;select .A:273 or .A:274 or .A:281 or .A:293 or .A:294 or .A:295 or .A:323 or .A:336 or .A:337 or .A:338 or .A:339 or .A:340 or .A:341 or .A:342 or .A:344 or .A:345 or .A:393 or .A:403 or .A:404; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate | Ligand Info | |||||
| Structure Description | Src kinase bound to eCF506 trapped in inactive conformation | PDB:7NG7 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [10] |
| PDB Sequence |
KDAWEIPRES
269 LRLEVKLGQG279 CFGEVWMGTW289 NGTTRVAIKT299 LKPGTMSPEA309 FLQEAQVMKK 319 LRHEKLVQLY329 AVVSEEPIYI339 VTEYMSKGSL349 LDFLKGETGK359 YLRLPQLVDM 369 AAQIASGMAY379 VERMNYVHRD389 LRAANILVGE399 NLVCKVADFG409 LARLIEDNEY 419 TARQFPIKWT432 APEAALYGRF442 TIKSDVWSFG452 ILLTELTTKG462 RVPYPGMVNR 472 EVLDQVERGY482 RMPCPPECPE492 SLHDLMCQCW502 RKEPEERPTF512 EYLQAFLEDY 522 FTSTEPQYQP532 GENL
|
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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 .UCW or .UCW2 or .UCW3 or :3UCW;style chemicals stick;color identity;select .A:276 or .A:277 or .A:278 or .A:284 or .A:296 or .A:297 or .A:298 or .A:310 or .A:317 or .A:326 or .A:328 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:347 or .A:348 or .A:351 or .A:396 or .A:406 or .A:407 or .A:408 or .A:410; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU276
3.448
GLY277
3.838
GLN278
4.846
VAL284
3.818
ALA296
3.096
ILE297
3.889
LYS298
3.450
PHE310
4.993
MET317
3.732
VAL326
4.327
LEU328
4.066
ILE339
3.357
VAL340
4.199
|
|||||
| Ligand Name: N-[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]propanamide | Ligand Info | |||||
| Structure Description | SRC kinase bound to covalent inhibitor | PDB:6ATE | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [11] |
| PDB Sequence |
KDAWEIPRES
269 LRLEVKLGQG279 CFGEVWMGTW289 NGTTRVAIKT299 LPEAFEAQVM317 KKLRHEKLVQ 327 LYAVVSEEPI337 YIVTEYMSKG347 SLLDFLKGET357 GKYLRLPQLV367 DMAAQIASGM 377 AYVERMNYVH387 RDLRAANILV397 GENLVCKVAD407 FGLARLPIKW431 TAPEAALYGR 441 FTIKSDVWSF451 GILLTELTTK461 GRVPYPGMVN471 REVLDQVERG481 YRMPCPPECP 491 ESLHDLMCQC501 WRKEPEERPT511 FEYLQAFLED521 YFTSTEPQYQ531 PGENL |
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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 .6H3 or .6H32 or .6H33 or :36H3;style chemicals stick;color identity;select .A:276 or .A:277 or .A:278 or .A:279 or .A:280 or .A:284 or .A:296 or .A:326 or .A:341 or .A:342 or .A:343 or .A:344 or .A:345 or .A:346 or .A:347 or .A:348 or .A:351 or .A:393 or .A:394 or .A:395 or .A:396 or .A:406 or .A:407; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU276
3.691
GLY277
3.827
GLN278
3.257
GLY279
4.438
CYS280
1.766
VAL284
3.493
ALA296
3.479
VAL326
4.603
THR341
3.444
GLU342
3.402
TYR343
3.558
MET344
2.550
|
|||||
| Ligand Name: 1-{4-[4-Amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-D]pyrimidin-7-YL]benzyl}piperidin-4-OL | Ligand Info | |||||
| Structure Description | Crystal structure of Src kinase domain in complex with CGP77675 | PDB:1YOL | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [7] |
| PDB Sequence |
AKDAWEIPRE
267 SLRLEVKLGQ277 GGEVWMGTWN289 GTTRVAIKTL299 KPGTMSPEAF309 LQEAQVMKKL 319 RHEKLVQLYA329 VVSEEPIYIV339 TEYMNKGSLL349 DFLKGETGKY359 LRLPQLVDMS 369 AQIASGMAYV379 ERMNYVHRDL389 RAANILVGEN399 LVCKVADPIK429 WTAPEAALYG 439 RFTIKSDVWS449 FGILLTELTT459 KGRVPYPGMV469 NREVLDQVER479 GYRMPCPPEC 489 PESLHDLMCQ499 CWRKEPEERP509 TFEYLQAFLE519 DYFTSTEPQY529 QPGENL |
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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 .S03 or .S032 or .S033 or :3S03;style chemicals stick;color identity;select .A:275 or .A:276 or .A:283 or .A:295 or .A:296 or .A:297 or .A:312 or .A:316 or .A:325 or .A:338 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:346 or .A:347 or .A:350 or .A:395 or .A:405 or .A:406; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU275
3.867
GLY276
4.130
VAL283
3.905
ALA295
3.086
ILE296
4.316
LYS297
3.396
GLU312
3.347
MET316
4.781
VAL325
4.295
ILE338
3.148
VAL339
4.085
|
|||||
| Ligand Name: {[(4-{[2-(4-Aminocyclohexyl)-9-ethyl-9H-purin-6-YL]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid | Ligand Info | |||||
| Structure Description | Src kinase in complex with inhibitor AP23451 | PDB:2BDF | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [12] |
| PDB Sequence |
KDAWEIPRES
266 LRLEVKLGQG276 CFGEVWMGTW286 NGTTRVAIKT296 LKPGTMSPEA306 FLQEAQVMKK 316 LRHEKLVQLY326 AVVSEEPIYI336 VTEYMSKGSL346 LDFLKGETGK356 YLRLPQLVDM 366 AAQIASGMAY376 VERMNYVHRD386 LRAANILVGE396 NLVCKVADFG406 LARLIEFPIK 427 WTAPEAALYG437 RFTIKSDVWS447 FGILLTELTT457 KGRVPYPGMV467 NREVLDQVER 477 GYRMPCPPEC487 PESLHDLMCQ497 CWRKEPEERP507 TFEYLQAFLE517 DYFTSTEPQY 527 Q
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .24A or .24A2 or .24A3 or :324A;style chemicals stick;color identity;select .A:273 or .A:274 or .A:275 or .A:281 or .A:293 or .A:295 or .A:323 or .A:338 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:345 or .A:348 or .A:393; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[2-(2-Cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9H-purin-9-YL)ethyl]phenol | Ligand Info | |||||
| Structure Description | Src kinase in complex with inhibitor AP23464 | PDB:2BDJ | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [12] |
| PDB Sequence |
KDAWEIPRES
266 LRLEVKLGQG276 CFGEVWMGTW286 NGTTRVAIKT296 LKPGTMSPEA306 FLQEAQVMKK 316 LRHEKLVQLY326 AVVSEEPIYI336 VTEYMSKGSL346 LDFLKGETGK356 YLRLPQLVDM 366 AAQIASGMAY376 VERMNYVHRD386 LRAANILVGE396 NLVCKVADFG406 LARLIEFPIK 427 WTAPEAALYG437 RFTIKSDVWS447 FGILLTELTT457 KGRVPYPGMV467 NREVLDQVER 477 GYRMPCPPEC487 PESLHDLMCQ497 CWRKEPEERP507 TFEYLQAFLE517 DYFT |
|||||
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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 .HET or .HET2 or .HET3 or :3HET;style chemicals stick;color identity;select .A:273 or .A:274 or .A:275 or .A:281 or .A:293 or .A:294 or .A:295 or .A:310 or .A:314 or .A:323 or .A:336 or .A:338 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:345 or .A:348 or .A:393 or .A:403 or .A:404 or .A:405; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU273
3.644
GLY274
3.383
GLN275
4.416
VAL281
3.474
ALA293
3.386
ILE294
4.836
LYS295
3.056
GLU310
2.661
MET314
4.433
VAL323
4.226
ILE336
3.607
THR338
3.527
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| Ligand Name: N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[2-(propanoylamino)anilino]pyrimidine-5-carboxamide | Ligand Info | |||||
| Structure Description | DGY-06-116, a novel and selective covalent inhibitor of SRC kinase | PDB:6E6E | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [13] |
| PDB Sequence |
DAWEIPRESL
270 RLEVKLGQGC280 FGEVWMGTWN290 GTTRVAIKTL300 KPGTMSPEAF310 LQEAQVMKKL 320 RHEKLVQLYA330 VVSEEPIYIV340 TEYMSKGSLL350 DFLKGETGKY360 LRLPQLVDMA 370 AQIASGMAYV380 ERMNYVHRDL390 RAANILVGEN400 LVCKVADFGL410 ARLIAKFPIK 430 WTAPEAALYG440 RFTIKSDVWS450 FGILLTELTT460 KGRVPYPGMV470 NREVLDQVER 480 GYRMPCPPEC490 PESLHDLMCQ500 CWRKEPEERP510 TFEYLQAFLE520 DYFTSTEPQY 530 QPGENL
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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 .HVY or .HVY2 or .HVY3 or :3HVY;style chemicals stick;color identity;select .A:276 or .A:277 or .A:278 or .A:279 or .A:280 or .A:284 or .A:296 or .A:297 or .A:298 or .A:313 or .A:317 or .A:326 or .A:339 or .A:341 or .A:342 or .A:343 or .A:344 or .A:345 or .A:346 or .A:347 or .A:348 or .A:351 or .A:393 or .A:394 or .A:396 or .A:406 or .A:407; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU276
3.663
GLY277
4.324
GLN278
4.871
GLY279
3.208
CYS280
1.833
VAL284
3.513
ALA296
3.388
ILE297
3.791
LYS298
3.414
GLU313
3.701
MET317
3.976
VAL326
3.473
ILE339
3.532
THR341
3.042
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| Ligand Name: 2-{4-[2-Acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of sh2 in complex with ru85052 | PDB:1O44 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .852 or .8522 or .8523 or :3852;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:44 or .A:59 or .A:60 or .A:61 or .A:62 or .A:73 or .A:74 or .A:89 or .A:93 or .A:94 or .A:95 or .A:96; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: alpha-Sulfophenylacetic acid | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79256. | PDB:1O4Q | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [8] |
| PDB Sequence |
SIQAEEWYFG
10 KITRRESERL20 LLNAENPRGT30 FLVRESETTK40 GAYCLSVSDF50 DNAKGLNVKH 60 YKIRKLDSGG70 FYITSRTQFN80 SLQQLVAYYS90 KHADGLCHRL100 TTVCPT |
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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 .256 or .2562 or .2563 or :3256;style chemicals stick;color identity;select .A:14 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:60 or .A:61 or .A:62; 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 | Src Kinase Domain in complex with ponatinib | ||||
| REF 2 | A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity. Nat Chem Biol. 2014 Feb;10(2):127-32. | ||||
| REF 3 | 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 4 | Crystal structures of c-Src reveal features of its autoinhibitory mechanism. Mol Cell. 1999 May;3(5):629-38. | ||||
| REF 5 | The crystal structure of a c-Src complex in an active conformation suggests possible steps in c-Src activation. Structure. 2005 Jun;13(6):861-71. | ||||
| REF 6 | 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 7 | Crystal structures of active SRC kinase domain complexes. J Mol Biol. 2005 Oct 21;353(2):222-31. | ||||
| REF 8 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J Med Chem. 2003 Nov 20;46(24):5184-95. | ||||
| REF 9 | The structure of 1NA in complex with Src T338G | ||||
| REF 10 | A Conformation Selective Mode of Inhibiting SRC Improves Drug Efficacy and Tolerability. Cancer Res. 2021 Nov 1;81(21):5438-5450. | ||||
| REF 11 | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol. 2019 Jun 20;26(6):818-829.e9. | ||||
| REF 12 | Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds. Chem Biol Drug Des. 2006 Jan;67(1):46-57. | ||||
| REF 13 | Structure and Characterization of a Covalent Inhibitor of Src Kinase. Front Mol Biosci. 2020 May 19;7:81. | ||||
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