Structure of PDB 3vry Chain B Binding Site BS01
Receptor Information
>3vry Chain B (length=435) Species:
9606
(Homo sapiens) [
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RIIVVALYDYEAIHHEDLSFQKGDQMVVLEESGEWWKARSLATRKEGYIP
SNYVARVDSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGS
YSLSVRDYDPRQGDTVKHYKIRTLDNGGFYISPRSTFSTLQELVDHYKKG
NDGLCQKLSVPCMSSKPQKPWEKDAWEIPRESLKLEKKLGAGQFGEVWMA
TYNKHTKVAVKTMKPGSMSVEAFLAEANVMKTLQHDKLVKLHAVVTKEPI
YIITEFMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIH
RDLRAANILVSASLVCKIADFGLARVIFPIKWTAPEAINFGSFTIKSDVW
SFGILLMEIVTYGRIPYPGMSNPEVIRALERGYRMPRPENCPEELYNIMM
RCWKNRPEERPTFEYIQSVLDDFYTATESQYEEIP
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
3vry Chain A Residue 603 [
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Receptor-Ligand Complex Structure
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PDB
3vry
A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Resolution
2.481 Å
Binding residue
(original residue number in PDB)
E524 Y527
Binding residue
(residue number reindexed from 1)
E428 Y431
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D386 R388 A390 N391 D404 F424
Catalytic site (residue number reindexed from 1)
D302 R304 A306 N307 D320 F328
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:3vry
,
PDBe:3vry
,
PDBj:3vry
PDBsum
3vry
PubMed
23596204
UniProt
P08631
|HCK_HUMAN Tyrosine-protein kinase HCK (Gene Name=HCK)
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