Structure of PDB 5s76 Chain B Binding Site BS02

Receptor Information
>5s76 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 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 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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PDB5s76 XChem group deposition
Resolution1.31 Å
Binding residue
(original residue number in PDB)		H259 E260 I262 G264 H286 K345 C351
Binding residue
(residue number reindexed from 1)		H55 E56 I58 G60 H82 K138 C144
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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