Structure of PDB 4lud Chain B Binding Site BS02

Receptor Information
>4lud Chain B (length=410) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIIVVALYDYEAIHHEDLSFQKGDQMVVLEESGEWWKARSLATRKEGYIP
SNYVARVDSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETSYSL
SVRDYDPRQGDTVKHYKITLQELVDHYKKGNDGLCQKLSVPCMSSKPQKP
WEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKHTKVAVKTMKPGSVEA
FLAEANVMKTLQHDKLVKLHAVVTKEPIYIITEFMAKGSLLDFLKSDEGS
KQPLPKLIDFSAQIAEGMAFIEQRNYIHRDLRAANILVSASLVCKIADFG
LARVIPIKWTAPEAINFGSFTIKSDVWSFGILLMEIVTYGRIPYPGMSNP
EVIRALERGYRMPRPENCPEELYNIMMRCWKNRPEERPTFEYIQSVLDDF
YTATESQYEE
Ligand information
Ligand IDSK8
InChIInChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2
InChIKeyYOELZIQOLWZLQC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1ccc(cc1)c2nc3SCCn3c2c4ccncc4
OpenEye OEToolkits 1.7.6c1cc(ccc1c2c(n3c(n2)SCC3)c4ccncc4)F
ACDLabs 12.01Fc4ccc(c1nc3SCCn3c1c2ccncc2)cc4
FormulaC16 H12 F N3 S
Name6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;
SKF-86002
ChEMBLCHEMBL313417
DrugBank
ZINCZINC000001842518
PDB chain4lud Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lud Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		L273 V281 A293 K295 I336 T338 M341 L393 D404
Binding residue
(residue number reindexed from 1)		L169 V177 A189 K191 I230 T232 M235 L287 D298
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D386 R388 A390 N391 D404
Catalytic site (residue number reindexed from 1) D280 R282 A284 N285 D298
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:4lud, PDBe:4lud, PDBj:4lud
PDBsum4lud
PubMed24531473
UniProtP08631|HCK_HUMAN Tyrosine-protein kinase HCK (Gene Name=HCK)

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