Structure of PDB 5oy6 Chain D Binding Site BS01

Receptor Information

>5oy6 Chain D (length=292) Species: 9606 (Homo sapiens)

VARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYN
TVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTV
SCLRIVLSIASGLAHLHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIA
DLGLAVMHSQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAF
GLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNI
PNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID

Ligand information

• Ligand ID: B4E
• InChI: InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)
• InChIKey: KTSDBMVHAKWDRK-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: c1cn2c3c(cn2)-c4cc(cc(c4)Cl)OCCOCCNc1n3
  CACTVS 3.385: Clc1cc2OCCOCCNc3ccn4ncc(c(c1)c2)c4n3
• Formula: C16 H15 Cl N4 O2
• Name: cyclical inhibitor OD36
• ChEMBL: CHEMBL4531690
• PDB chain: 5oy6 Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5oy6 Establishment and characterization of endothelial colony forming cells as a surrogate model for Fibrodysplasia Ossificans Progressiva
• Resolution: 2.56 Å
• Binding residue (original residue number in PDB): Y219 L263 T283 H286 L343
• Binding residue (residue number reindexed from 1): Y16 L60 T80 H83 L140
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.11.30: receptor protein serine/threonine kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0004675 transmembrane receptor protein serine/threonine kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation
• GO:0007178 cell surface receptor protein serine/threonine kinase signaling pathway

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:5oy6, PDBe:5oy6, PDBj:5oy6
• PDBsum: 5oy6
• UniProt: Q04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)