Structure of PDB 5s7q Chain B Binding Site BS02

Receptor Information

>5s7q Chain B (length=291) Species: 9606 (Homo sapiens)

ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNT
VMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVS
CLRIVLSIASGLAHLHIEIFKPAIAHRDLKSKNILVKKNGQCCIADLGLA
VMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFG
LVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIP
NRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID

Ligand information

• Ligand ID: XJM
• InChI: InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
• InChIKey: XZGLNCKSNVGDNX-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385
  OpenEye OEToolkits 2.0.7: Cc1[nH]nnn1
  ACDLabs 12.01: Cc1nnnn1
• Formula: C2 H4 N4
• Name: 5-methyl-1H-tetrazole
• ChEMBL: CHEMBL477368
• ZINC: ZINC000005211973
• PDB chain: 5s7q Chain B Residue 1806

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5s7q XChem group deposition
• Resolution: 1.53 Å
• Binding residue (original residue number in PDB): M360 H361 S362 Q367 D369
• Binding residue (residue number reindexed from 1): M152 H153 S154 Q159 D161
• 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:5s7q, PDBe:5s7q, PDBj:5s7q
• PDBsum: 5s7q
• UniProt: Q04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)