Structure of PDB 5s7r Chain B Binding Site BS06

Receptor Information

>5s7r Chain B (length=292) Species: 9606 (Homo sapiens)

ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNT
VMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVS
CLRIVLSIASGLAHLHIEIFGKPAIAHRDLKSKNILVKKNGQCCIADLGL
AVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAF
GLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNI
PNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID

Ligand information

• Ligand ID: XGS
• InChI: InChI=1S/C2H5NO2S/c4-6(5)2-1-3-6/h3H,1-2H2
• InChIKey: GNPXXOFTVXIOLF-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: O=[S]1(=O)CCN1
  ACDLabs 12.01: O=S1(NCC1)=O
  OpenEye OEToolkits 2.0.7: C1CS(=O)(=O)N1
• Formula: C2 H5 N O2 S
• Name: 1lambda~6~,2-thiazetidine-1,1-dione
• ZINC: ZINC000032628061
• PDB chain: 5s7r Chain B Residue 509

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5s7r XChem group deposition
• Resolution: 1.46 Å
• Binding residue (original residue number in PDB): G220 E221 I236 F237 S238
• Binding residue (residue number reindexed from 1): G16 E17 I32 F33 S34
• 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:5s7r, PDBe:5s7r, PDBj:5s7r
• PDBsum: 5s7r
• UniProt: Q04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)