Structure of PDB 5s8b Chain B Binding Site BS02

Receptor Information
>5s8b Chain B (length=292) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNT
VMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVS
CLRIVLSIASGLAHLHIEIFGKPAIAHRDLKSKNILVKKNGQCCIADLGL
AVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAF
GLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNI
PNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
Ligand information
Ligand IDXFV
InChIInChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2
InChIKeyFCFMKFHUNDYKEG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S1(CCC1)=O
OpenEye OEToolkits 2.0.7C1CS(=O)(=O)C1
CACTVS 3.385O=[S]1(=O)CCC1
FormulaC3 H6 O2 S
Name1lambda~6~-thietane-1,1-dione
ChEMBL
DrugBank
ZINCZINC000001674494
PDB chain5s8b Chain B Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s8b XChem group deposition
Resolution1.64 Å
Binding residue
(original residue number in PDB)		Y294 T299 L300 D301 S304
Binding residue
(residue number reindexed from 1)		Y90 T95 L96 D97 S100
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:5s8b, PDBe:5s8b, PDBj:5s8b
PDBsum5s8b
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

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