Structure of PDB 5s89 Chain A Binding Site BS04

Receptor Information
>5s89 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 IDXKV
InChIInChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7)
InChIKeyHNNJFUDLLWOVKZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(C(=O)N)N
ACDLabs 12.01CCC(N)C(N)=O
CACTVS 3.385CC[C@H](N)C(N)=O
OpenEye OEToolkits 2.0.7CC[C@@H](C(=O)N)N
CACTVS 3.385CC[CH](N)C(N)=O
FormulaC4 H10 N2 O
Name(2R)-2-aminobutanamide
ChEMBL
DrugBank
ZINC
PDB chain5s89 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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PDB5s89 XChem group deposition
Resolution1.3 Å
Binding residue
(original residue number in PDB)		T299 D301 S304
Binding residue
(residue number reindexed from 1)		T98 D100 S103
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:5s89, PDBe:5s89, PDBj:5s89
PDBsum5s89
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

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