Structure of PDB 5s7i Chain B Binding Site BS07

Receptor Information
>5s7i Chain B (length=294) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNT
VMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVS
CLRIVLSIASGLAHLHIEIFGQGKPAIAHRDLKSKNILVKKNGQCCIADL
GLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIW
AFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRP
NIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
Ligand information
Ligand IDHV2
InChIInChI=1S/C3H6O3S/c4-3-1-7(5,6)2-3/h3-4H,1-2H2
InChIKeyCIUZABLJPXPIFC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC1C[S](=O)(=O)C1
OpenEye OEToolkits 2.0.6C1C(CS1(=O)=O)O
FormulaC3 H6 O3 S
Name1,1-bis(oxidanylidene)thietan-3-ol
ChEMBL
DrugBank
ZINCZINC000001674463
PDB chain5s7i Chain B Residue 512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s7i XChem group deposition
Resolution1.3 Å
Binding residue
(original residue number in PDB)		T299 L300 D301 S304
Binding residue
(residue number reindexed from 1)		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:5s7i, PDBe:5s7i, PDBj:5s7i
PDBsum5s7i
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

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