Structure of PDB 5s7u Chain B Binding Site BS02

Receptor Information
>5s7u Chain B (length=279) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNT
RHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLR
IVLSIASGLAHLHIEIFKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMH
SNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVS
NGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSL
AKLMKECWYQNPSARLTALRIKKTLTKID
Ligand information
Ligand IDXGY
InChIInChI=1S/C4H11N3/c1-7-2-4(5)6-3-7/h4,6H,2-3,5H2,1H3/t4-/m0/s1
InChIKeyVFALPSXHULBHMC-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1C[C@H](NC1)N
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CN1CC(NC1)N
CACTVS 3.385CN1CN[C@H](N)C1
CACTVS 3.385CN1CN[CH](N)C1
FormulaC4 H11 N3
Name(4S)-1-methylimidazolidin-4-amine
ChEMBL
DrugBank
ZINC
PDB chain5s7u 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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PDB5s7u XChem group deposition
Resolution1.59 Å
Binding residue
(original residue number in PDB)		E389 F441
Binding residue
(residue number reindexed from 1)		E169 F221
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:5s7u, PDBe:5s7u, PDBj:5s7u
PDBsum5s7u
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

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