Structure of PDB 5s7b Chain A Binding Site BS04

Receptor Information
>5s7b Chain A (length=285) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTVARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETEL
YNTVMLRHENILGFIASDMTSRHSTQLWLITHYHEMGSLYDYLQLTTLDT
VSCLRIVLSIASGLAHLHIEIFGGKPAIAHRDLKSKNILVKKNGQCCIAD
LGLAVMHNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEV
ARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSD
PTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
Ligand information
Ligand IDXH7
InChIInChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
InChIKeyBSNQHVPRAPQLSW-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CSC[C@H]1C(=O)O
ACDLabs 12.01O=C(O)C1CSCC1
OpenEye OEToolkits 2.0.7C1CSCC1C(=O)O
CACTVS 3.385OC(=O)[CH]1CCSC1
CACTVS 3.385OC(=O)[C@H]1CCSC1
FormulaC5 H8 O2 S
Name(3R)-thiolane-3-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000034099551
PDB chain5s7b Chain A Residue 509 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5s7b XChem group deposition
Resolution1.32 Å
Binding residue
(original residue number in PDB)		K243 F246
Binding residue
(residue number reindexed from 1)		K42 F45
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:5s7b, PDBe:5s7b, PDBj:5s7b
PDBsum5s7b
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

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