Structure of PDB 3dkc Chain A Binding Site BS01

Receptor Information

>3dkc Chain A (length=312) Species: 9606 (Homo sapiens)

VHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDN
DGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSE
GSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKFLASKKF
VHRDLAARNCMLDEKFTVKVADFGLARDMYDKEFDSVHNKTGAKLPVKWM
ALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGR
RLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIGEHYV
HVNATYVNVKEG

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3dkc Chain A Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3dkc SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
• Resolution: 1.52 Å
• Binding residue (original residue number in PDB): N1209 D1222
• Binding residue (residue number reindexed from 1): N159 D172
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D1204 A1206 R1208 N1209 D1222 A1243
• Catalytic site (residue number reindexed from 1): D154 A156 R158 N159 D172 A193
• Enzyme Commision number: 2.7.10.1: receptor 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:3dkc, PDBe:3dkc, PDBj:3dkc
• PDBsum: 3dkc
• PubMed: 19934279
• UniProt: P08581|MET_HUMAN Hepatocyte growth factor receptor (Gene Name=MET)