Structure of PDB 5s8b Chain B Binding Site BS03

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 506 [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)		L297 T298 T299
Binding residue
(residue number reindexed from 1)		L93 T94 T95
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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