Structure of PDB 5s81 Chain B Binding Site BS03

Receptor Information
>5s81 Chain B (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVML
RHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLR
IVLSIASGLAHLHIEIFGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVM
HSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLV
LWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNR
WFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
Ligand information
Ligand IDXJV
InChIInChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
InChIKeyYAMHXTCMCPHKLN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		O=C1NCCN1
OpenEye OEToolkits 2.0.7C1CNC(=O)N1
FormulaC3 H6 N2 O
Nameimidazolidin-2-one
ChEMBLCHEMBL12034
DrugBank
ZINCZINC000001666720
PDB chain5s81 Chain B Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s81 XChem group deposition
Resolution1.43 Å
Binding residue
(original residue number in PDB)		H361 N366 L368 D394
Binding residue
(residue number reindexed from 1)		H151 N156 L158 D184
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5s81, PDBe:5s81, PDBj:5s81
PDBsum5s81
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

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