Structure of PDB 5s86 Chain B Binding Site BS02

Receptor Information

>5s86 Chain B (length=292) Species: 9606 (Homo sapiens)

ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNT
VMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVS
CLRIVLSIASGLAHLHIEIFGKPAIAHRDLKSKNILVKKNGQCCIADLGL
AVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAF
GLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNI
PNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID

Ligand information

• Ligand ID: XK7
• InChI: InChI=1S/C4H8N2O/c5-3(7)4(6)1-2-4/h1-2,6H2,(H2,5,7)
• InChIKey: JFGXRDGYMLGBBB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: NC(=O)C1(CC1)N
  CACTVS 3.385: NC(=O)C1(N)CC1
  OpenEye OEToolkits 2.0.7: C1CC1(C(=O)N)N
• Formula: C4 H8 N2 O
• Name: 1-aminocyclopropane-1-carboxamide
• ZINC: ZINC000039118034
• PDB chain: 5s86 Chain B Residue 505

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5s86 XChem group deposition
• Resolution: 1.31 Å
• Binding residue (original residue number in PDB): Q453 R454 N456
• Binding residue (residue number reindexed from 1): Q246 R247 N249
• 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:5s86, PDBe:5s86, PDBj:5s86
• PDBsum: 5s86
• UniProt: Q04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)