Structure of PDB 5s9k Chain B Binding Site BS02

Receptor Information
>5s9k 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 IDYV4
InChIInChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChIKeyYNDAMDVOGKACTP-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CNC(=O)[C@H]1N
ACDLabs 12.01O=C1NCCC1N
OpenEye OEToolkits 2.0.7C1CNC(=O)C1N
CACTVS 3.385N[CH]1CCNC1=O
CACTVS 3.385N[C@H]1CCNC1=O
FormulaC4 H8 N2 O
Name(3S)-3-aminopyrrolidin-2-one
ChEMBLCHEMBL288076
DrugBank
ZINCZINC000019737052
PDB chain5s9k 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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PDB5s9k XChem group deposition
Resolution1.35 Å
Binding residue
(original residue number in PDB)		Y252 T254 V255 L257 R258
Binding residue
(residue number reindexed from 1)		Y48 T50 V51 L53 R54
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:5s9k, PDBe:5s9k, PDBj:5s9k
PDBsum5s9k
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

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