Structure of PDB 4aoj Chain A

Receptor sequence

>4aojA (length=260) Species: 9606 (Homo sapiens)

ACVHHIKRRDIVLKWELGEGAFGKVFLAECHNLLPKMLVAVKALKEASES
ARQDFQREAELLTMLQHQHIVRFFGVCTEGRPLLMVFEYMRHGDLNRFLR
SHGPDPGPLGLGQLLAVASQVAAGMVYLAGLHFVHRDLATRNCLVGQGLV
VKIGDFGTMLPIRWMPPESILYRKFTTESDVWSFGVVLWEIFTYGKQPWY
QLSNTEAIDCITQGRELERPRACPPEVYAIMRGCWQREPQQRHSIKDVHA
RLQALAQAPP

3D structure

• PDB: 4aoj Discovery of Disubstituted Imidazo[4,5-B]Pyridines and Purines as Potent Trka Inhibitors
• Chain: A
• Resolution: 2.75 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D650 A652 R654 N655 D668 L689
• Catalytic site (residue number reindexed from 1): D137 A139 R141 N142 D155 L160
• 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	V4Z	A	L516 A542 F589 E590 Y591 M592 R593 G595 N655 L657 G667	L17 A40 F87 E88 Y89 M90 R91 G93 N142 L144 G154	BindingDB: IC50=2.8nM,Ki=3.7nM,Kd=2.0nM
BS02	ZN	A	H504 C579 E581	H5 C77 E79
BS03	ZN	A	E515 E518 K523	E16 E19 K24

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0004713 protein tyrosine kinase activity
• GO:0004714 transmembrane receptor protein tyrosine kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation
• GO:0007169 cell surface receptor protein tyrosine kinase signaling pathway

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4aoj, PDBe:4aoj, PDBj:4aoj
• PDBsum: 4aoj
• PubMed: 24900538
• UniProt: P04629|NTRK1_HUMAN High affinity nerve growth factor receptor (Gene Name=NTRK1)