Structure of PDB 3vs7 Chain B Binding Site BS02

Receptor Information

>3vs7 Chain B (length=427) Species: 9606 (Homo sapiens)

RIIVVALYDYEAIHHEDLSFQKGDQMVVLEESGEWWKARSLATRKEGYIP
SNYVARVDSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGS
YSLSVRDYDPRQGDTVKHYKIRTFYISPRSTFSTLQELVDHYKKGNDGLC
QKLSVPCMSSKPQKPWEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKH
TKVAVKTMKPGSMSVEAFLAEANVMKTLQHDKLVKLHAVVTKEPIYIITE
FMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIHRDLRA
ANILVSASLVCKIADFGLARPIKWTAPEAINFGSFTIKSDVWSFGILLME
IVTYGRIPYPGMSNPEVIRALERGYRMPRPENCPEELYNIMMRCWKNRPE
ERPTFEYIQSVLDDFYTATESQYEEIP

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3vs7 Chain B Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vs7 A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
• Resolution: 3.001 Å
• Binding residue (original residue number in PDB): E524 Y527 E528 E529
• Binding residue (residue number reindexed from 1): E420 Y423 E424 E425
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D386 R388 A390 N391 D404
• Catalytic site (residue number reindexed from 1): D297 R299 A301 N302 D315
• 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

External links

• PDB: RCSB:3vs7, PDBe:3vs7, PDBj:3vs7
• PDBsum: 3vs7
• PubMed: 23596204
• UniProt: P08631|HCK_HUMAN Tyrosine-protein kinase HCK (Gene Name=HCK)