Structure of PDB 3vs1 Chain B Binding Site BS01
Receptor Information
>3vs1 Chain B (length=434) Species:
9606
(Homo sapiens) [
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RIIVVALYDYEAIHHEDLSFQKGDQMVVLEESGEWWKARSLATRKEGYIP
SNYVARVDSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGS
YSLSVRDYDPRQGDTVKHYKIRTLDNGGFYISPRSTFSTLQELVDHYKKG
NDGLCQKLSVPCMSSKPQKPWEKDAWEIPRESLKLEKKLGAGQFGEVWMA
TYNKHTKVAVKTMKPGSMSVEAFLAEANVMKTLQHDKLVKLHAVVTKEPI
YIITEFMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIH
RDLRAANILVSASLVCKIADFGLARVIPIKWTAPEAINFGSFTIKSDVWS
FGILLMEIVTYGRIPYPGMSNPEVIRALERGYRMPRPENCPEELYNIMMR
CWKNRPEERPTFEYIQSVLDDFYTATESQYEEIP
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
3vs1 Chain B Residue 601 [
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Receptor-Ligand Complex Structure
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PDB
3vs1
A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Resolution
2.464 Å
Binding residue
(original residue number in PDB)
E524 Y527 E528 E529
Binding residue
(residue number reindexed from 1)
E427 Y430 E431 E432
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D386 R388 A390 N391 D404
Catalytic site (residue number reindexed from 1)
D302 R304 A306 N307 D320
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
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:3vs1
,
PDBe:3vs1
,
PDBj:3vs1
PDBsum
3vs1
PubMed
23596204
UniProt
P08631
|HCK_HUMAN Tyrosine-protein kinase HCK (Gene Name=HCK)
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