Structure of PDB 4aoi Chain A

Receptor sequence

>4aoiA (length=289) Species: 9606 (Homo sapiens)

HIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLKKI
HCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLV
VLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDL
AARNCMLDEKFTVKVADFGLARDMYDKEYYSVHNKTGAKLPVKWMALESL
QTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQP
EYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTF

3D structure

• PDB: 4aoi Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
• Chain: A
• Resolution: 1.9 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D1204 A1206 R1208 N1209 D1222 A1243
• Catalytic site (residue number reindexed from 1): D149 A151 R153 N154 D167 A188
• Enzyme Commision number: 2.7.10.1: receptor protein-tyrosine kinase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	4K0	A	I1084 A1108 L1157 P1158 M1160 D1164 N1167 R1208 M1211 A1221 D1222 Y1230	I33 A53 L102 P103 M105 D109 N112 R153 M156 A166 D167 Y175	MOAD: Ki=0.004uM PDBbind-CN: -logKd/Ki=8.40,Ki=0.004uM BindingDB: IC50=16nM,Ki=4nM

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:4aoi, PDBe:4aoi, PDBj:4aoi
• PDBsum: 4aoi
• PubMed: 22924734
• UniProt: P08581|MET_HUMAN Hepatocyte growth factor receptor (Gene Name=MET)