Structure of PDB 5s7f Chain B Binding Site BS02

Receptor Information

>5s7f Chain B (length=292) Species: 9606 (Homo sapiens)

ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNT
VMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVS
CLRIVLSIASGLAHLHIEIFGKPAIAHRDLKSKNILVKKNGQCCIADLGL
AVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAF
GLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNI
PNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID

Ligand information

• Ligand ID: XH4
• InChI: InChI=1S/C4H10N2O/c7-3-4-1-2-5-6-4/h4-7H,1-3H2/t4-/m1/s1
• InChIKey: FBDFRVVUQCCDAI-SCSAIBSYSA-N
• SMILES:
  ACDLabs 12.01: OCC1NNCC1
  OpenEye OEToolkits 2.0.7: C1CNNC1CO
  CACTVS 3.385: OC[CH]1CCNN1
  OpenEye OEToolkits 2.0.7: C1CNN[C@@H]1CO
  CACTVS 3.385: OC[C@@H]1CCNN1
• Formula: C4 H10 N2 O
• Name: [(3R)-pyrazolidin-3-yl]methanol
• PDB chain: 5s7f Chain B Residue 505

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5s7f XChem group deposition
• Resolution: 1.31 Å
• Binding residue (original residue number in PDB): D388 C449 Q452 Q480
• Binding residue (residue number reindexed from 1): D181 C242 Q245 Q273
• 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:5s7f, PDBe:5s7f, PDBj:5s7f
• PDBsum: 5s7f
• UniProt: Q04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)