Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T12499 | Target Info | |||
| Target Name | LCK tyrosine protein kinase (LCK) | ||||
| Synonyms | p56-LCK; Tyrosine-protein kinase Lck; T cell-specific protein-tyrosine kinase; Proto-oncogene tyrosine-protein kinase LCK; Proto-oncogene Lck; Protein YT16; Lymphocyte cell-specific protein-tyrosine kinase; Leukocyte C-terminal Src kinase; LSK; LCK p59-Fyn; LCK Protooncogene Syn | ||||
| Target Type | Successful Target | ||||
| Gene Name | LCK | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| 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 | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6PDJ Tyrosine-protein kinase LCK bound to Compound 11 | ||||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [1] |
| PDB Sequence |
GHMQKPWWED
236 EWEVPRETLK246 LVERLGAGQF256 GEVWMGYYNG266 HTKVAVKSLK276 QGSMSPDAFL 286 AEANLMKQLQ296 HQRLVRLYAV306 VTQEPIYIIT316 EYMENGSLVD326 FLKTPSGIKL 336 TINKLLDMAA346 QIAEGMAFIE356 ERNYIHRDLR366 AANILVSDTL376 SCKIADFGLA 386 RLIEDNETAR397 EGAKFPIKWT407 APEAINYGTF417 TIKSDVWSFG427 ILLTEIVTHG 437 RIPYPGMTNP447 EVIQNLERGY457 RMVRPDNCPE467 ELYQLMRLCW477 KERPEDRPTF 487 DYLRSVLEDF497 FTA
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| PDB ID: 3KMM Structure of human LCK kinase with a small molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
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| PDB ID: 3KXZ The complex crystal structure of LCK with a probe molecule w259 | ||||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [3] |
| PDB Sequence |
WEVPRETLKL
247 VERLGAGQFG257 EVWMGYYNGH267 TKVAVKSLKQ277 GSMSPDAFLA287 EANLMKQLQH 297 QRLVRLYAVV307 TQEPIYIITE317 YMENGSLVDF327 LKTPSGIKLT337 INKLLDMAAQ 347 IAEGMAFIEE357 RNYIHRDLRA367 ANILVSDTLS377 CKIADFGLAR387 LIEDNETARE 398 GAKFPIKWTA408 PEAINYGTFT418 IKSDVWSFGI428 LLTEIVTHGR438 IPYPGMTNPE 448 VIQNLERGYR458 MVRPDNCPEE468 LYQLMRLCWK478 ERPEDRPTFD488 YLRSVLEDFF 498 TAT
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| PDB ID: 3AC1 Crystal structure of pyrazin derivative bound to the kinase domain of Human LCK, (Auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [4] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:397 or .A:415 or .A:416 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3AD5 Crystal structure of Triazolone derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [5] |
| PDB Sequence |
QKPWWEDEWE
239 VPRETLKLVE249 RLGAGQFGEV259 WMGYYNGHTK269 VAVKSLKQGS279 MSPDAFLAEA 289 NLMKQLQHQR299 LVRLYAVVTQ309 EPIYIITEYM319 ENGSLVDFLK329 TPSGIKLTIN 339 KLLDMAAQIA349 EGMAFIEERN359 YIHRDLRAAN369 ILVSDTLSCK379 IADFGLARLI 389 EDNETAREGA400 KFPIKWTAPE410 AINYGTFTIK420 SDVWSFGILL430 TEIVTHGRIP 440 YPGMTNPEVI450 QNLERGYRMV460 RPDNCPEELY470 QLMRLCWKER480 PEDRPTFDYL 490 RSVLEDFFTA500 TE
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:415 or .A:416 or .A:417; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2ZM1 Crystal structure of imidazo pyrazin 1 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [6] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:397 or .A:415 or .A:416 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3AC2 Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [7] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:415 or .A:416 or .A:417; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3AD6 Crystal structure of Pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [8] |
| PDB Sequence |
QKPWWEDEWE
239 VPRETLKLVE249 RLGAGQFGEV259 WMGYYNGHTK269 VAVKSLKQGS279 MSPDAFLAEA 289 NLMKQLQHQR299 LVRLYAVVTQ309 EPIYIITEYM319 ENGSLVDFLK329 TPSGIKLTIN 339 KLLDMAAQIA349 EGMAFIEERN359 YIHRDLRAAN369 ILVSDTLSCK379 IADFGLARLI 389 EDNETAREGA400 KFPIKWTAPE410 AINYGTFTIK420 SDVWSFGILL430 TEIVTHGRIP 440 YPGMTNPEVI450 QNLERGYRMV460 RPDNCPEELY470 QLMRLCWKER480 PEDRPTFDYL 490 RSVLEDFFTA500 TE
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:415 or .A:416 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3ACJ Crystal structure of imidazo pyrimidine derivative bound to the kinase domain of human LCK, (Auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [9] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:415 or .A:416 or .A:417; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3AD4 Crystal Structure of Methoxy Benzofuran Derivative bound to the Kinase domain of human LCK, (auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [10] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:397 or .A:415 or .A:416 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3AC8 Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [11] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:415 or .A:416 or .A:417; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3AC5 Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [12] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:397 or .A:415 or .A:416 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2ZYB Crystal structure of phenylimidazo pyrazin 2 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [6] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
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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:361 or .A:363 or .A:387 or .A:389 or .A:391 or .A:392 or .A:393 or .A:395 or .A:396 or .A:415 or .A:416 or .A:417; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3AC3 Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [13] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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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:361 or .A:363 or .A:387 or .A:389 or .A:391 or .A:392 or .A:393 or .A:395 or .A:396 or .A:415 or .A:416 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3ACK Crystal structure of Pyrrolo pyrazine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [14] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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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:361 or .A:363 or .A:387 or .A:389 or .A:391 or .A:392 or .A:393 or .A:395 or .A:396 or .A:415 or .A:416 or .A:417; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2ZM4 Crystal structure of imidazo quinoxaline 1 bound to the kinase domain of human LCK, activated form (auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [6] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
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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:361 or .A:363 or .A:387 or .A:389 or .A:391 or .A:392 or .A:393 or .A:395 or .A:396 or .A:397 or .A:415 or .A:416 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3AC4 Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [15] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:397 or .A:415 or .A:416 or .A:417; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1QPC STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [16] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:397 or .A:415 or .A:416 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1QPD STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [16] |
| PDB Sequence |
KPWWEDAWEV
240 PRETLKLVER250 LGAGQAGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DAETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501 E
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:415 or .A:416 or .A:417; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1QPE STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [16] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:397 or .A:415 or .A:416 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1QPJ CRYSTAL STRUCTURE OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH STAUROSPORINE. | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [16] |
| PDB Sequence |
DEWEVPRETL
245 KLVERLGAGQ255 FGEVWMGYYN265 GHTKVAVKSL275 KQGSMSPDAF285 LAEANLMKQL 295 QHQRLVRLYA305 VVTQEPIYII315 TEYMENGSLV325 DFLKTPSGIK335 LTINKLLDMA 345 AQIAEGMAFI355 EERNYIHRDL365 RAANILVSDT375 LSCKIADFGL385 ARLIEDNETA 396 REGAKFPIKW406 TAPEAINYGT416 FTIKSDVWSF426 GILLTEIVTH436 GRIPYPGMTN 446 PEVIQNLERG456 YRMVRPDNCP466 EELYQLMRLC476 WKERPEDRPT486 FDYLRSVLED 496 FFTAT
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:397 or .A:415 or .A:416 or .A:417 or .A:418; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2OFU x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [17] |
| PDB Sequence |
PQKPWWEDEW
238 EVPRETLKLV248 ERLGAGQFGE258 VWMGYYNGHT268 KVAVKSLKQG278 SMSPDAFLAE 288 ANLMKQLQHQ298 RLVRLYAVVT308 QEPIYIITEY318 MENGSLVDFL328 KTPSGIKLTI 338 NKLLDMAAQI348 AEGMAFIEER358 NYIHRDLRAA368 NILVSDTLSC378 KIADFGLARL 388 IEDNETAREG399 AKFPIKWTAP409 EAINYGTFTI419 KSDVWSFGIL429 LTEIVTHGRI 439 PYPGMTNPEV449 IQNLERGYRM459 VRPDNCPEEL469 YQLMRLCWKE479 RPEDRPTFDY 489 LRSVLEDFFT499 AT
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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:361 or .A:363 or .A:387 or .A:389 or .A:390 or .A:392 or .A:393 or .A:395 or .A:396 or .A:397 or .A:415 or .A:416 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3BYM X-ray co-crystal structure aminobenzimidazole triazine 1 bound to Lck | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [18] |
| PDB Sequence |
QKPWWEDEWE
239 VPRETLKLVE249 RLGAGQFGEV259 WMGYYNGHTK269 VAVKSLKQGS279 MSPDAFLAEA 289 NLMKQLQHQR299 LVRLYAVVTQ309 EPIYIITEYM319 ENGSLVDFLK329 TPSGIKLTIN 339 KLLDMAAQIA349 EGMAFIEERN359 YIHRDLRAAN369 ILVSDTLSCK379 IADFGLARLI 389 EDNETAREGA400 KFPIKWTAPE410 AINYGTFTIK420 SDVWSFGILL430 TEIVTHGRIP 440 YPGMTNPEVI450 QNLERGYRMV460 RPDNCPEELY470 QLMRLCWKER480 PEDRPTFDYL 490 RSVLEDFFTA500 T
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:397 or .A:415 or .A:416 or .A:417; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3BYO X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [18] |
| PDB Sequence |
KPWWEDEWEV
240 PRETLKLVER250 LGAGQFGEVW260 MGYYNGHTKV270 AVKSLKQGSM280 SPDAFLAEAN 290 LMKQLQHQRL300 VRLYAVVTQE310 PIYIITEYME320 NGSLVDFLKT330 PSGIKLTINK 340 LLDMAAQIAE350 GMAFIEERNY360 IHRDLRAANI370 LVSDTLSCKI380 ADFGLARLIE 390 DNETAREGAK401 FPIKWTAPEA411 INYGTFTIKS421 DVWSFGILLT431 EIVTHGRIPY 441 PGMTNPEVIQ451 NLERGYRMVR461 PDNCPEELYQ471 LMRLCWKERP481 EDRPTFDYLR 491 SVLEDFFTAT501
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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:361 or .A:363 or .A:387 or .A:389 or .A:392 or .A:393 or .A:395 or .A:396 or .A:415 or .A:416 or .A:417; 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 | Discovery of Pyridazinone and Pyrazolo[1,5-a]pyridine Inhibitors of C-Terminal Src Kinase. ACS Med Chem Lett. 2019 Sep 25;10(10):1486-1491. | ||||
| REF 2 | Structure of human LCK kinase with a small molecule inhibitor | ||||
| REF 3 | Novel synthesis and structural characterization of a high-affinity paramagnetic kinase probe for the identification of non-ATP site binders by nuclear magnetic resonance. J Med Chem. 2010 Feb 11;53(3):1238-49. | ||||
| REF 4 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 5 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 6 | The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase. Bioorg Med Chem. 2008 Dec 15;16(24):10311-8. | ||||
| REF 7 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 8 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 9 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 10 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 11 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 12 | Ab initio molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 13 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 14 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 15 | Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase | ||||
| REF 16 | Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors. Structure. 1999 Jun 15;7(6):651-61. | ||||
| REF 17 | Novel 2-aminopyrimidine carbamates as potent and orally active inhibitors of Lck: synthesis, SAR, and in vivo antiinflammatory activity. J Med Chem. 2006 Aug 10;49(16):4981-91. | ||||
| REF 18 | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J Med Chem. 2008 Mar 27;51(6):1637-48. | ||||
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