Structure of PDB 4wsq Chain A Binding Site BS03

Receptor Information

>4wsq Chain A (length=317) Species: 9606 (Homo sapiens)

GLGSGYIGRVFGIGRQQVTVDEVLAEGGFAIVFLVRTSNGMKCALKRMFV
NNEHDLQVCKREIQIMRDLSGHKNIVGYIDSSINNVSSGDVWEVLILMDF
CRGGQVVNLMNQRLQTGFTENEVLQIFCDTCEAVARLHQCKTPIIHRDLK
VENILLHDRGHYVLCDFGSATNKFQNPQTEGVNAVEDEIKKYTTLSYRAP
EMVNLYSGKIITTKADIWALGCLLYKLCYFTLPFGESQVAICDGNFTIPD
NSRYSQDMHCLIRYMLEPDPDKRPDIYQVSYFSFKLLKKECPIPNVQNSP
IPAKLPEPVKASEAAAK

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 4wsq Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4wsq Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): D176 D194
• Binding residue (residue number reindexed from 1): D148 D166
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D176 K178 N181 D194 T222
• Catalytic site (residue number reindexed from 1): D148 K150 N153 D166 T194
• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:4wsq, PDBe:4wsq, PDBj:4wsq
• PDBsum: 4wsq
• PubMed: 26853940
• UniProt: Q2M2I8|AAK1_HUMAN AP2-associated protein kinase 1 (Gene Name=AAK1)