Structure of PDB 5s76 Chain A Binding Site BS04

Receptor Information
>5s76 Chain A (length=283) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTVARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETEL
YNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLD
TVSCLRIVLSIASGLAHLHIEIFGGKPAIAHRDLKSKNILVKKNGQCCIA
DLGLAVMHRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVAR
RMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPT
LTSLAKLMKECWYQNPSARLTALRIKKTLTKID
Ligand information
Ligand ID02A
InChIInChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKeyIADUEWIQBXOCDZ-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1CN[C@@H]1C(=O)O
OpenEye OEToolkits 1.7.0C1CNC1C(=O)O
CACTVS 3.370OC(=O)[CH]1CCN1
CACTVS 3.370OC(=O)[C@@H]1CCN1
ACDLabs 12.01O=C(O)C1NCC1
FormulaC4 H7 N O2
Name(2S)-azetidine-2-carboxylic acid
ChEMBLCHEMBL1165239
DrugBank
ZINCZINC000001698540
PDB chain5s76 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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PDB5s76 XChem group deposition
Resolution1.31 Å
Binding residue
(original residue number in PDB)		M256 L257 R258 H318
Binding residue
(residue number reindexed from 1)		M55 L56 R57 H117
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:5s76, PDBe:5s76, PDBj:5s76
PDBsum5s76
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

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