Structure of PDB 5s79 Chain B Binding Site BS02

Receptor Information
>5s79 Chain B (length=288) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVML
RHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLR
IVLSIASGLAHLHIEIFGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVM
HSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLV
LWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNR
WFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKI
Ligand information
Ligand IDPZO
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChIKeyWTKZEGDFNFYCGP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n1cccn1
CACTVS 3.341[nH]1cccn1
OpenEye OEToolkits 1.5.0c1c[nH]nc1
FormulaC3 H4 N2
NamePYRAZOLE
ChEMBLCHEMBL15967
DrugBankDB02757
ZINCZINC000000895257
PDB chain5s79 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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PDB5s79 XChem group deposition
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D336 D354 R375
Binding residue
(residue number reindexed from 1)		D126 D144 R165
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:5s79, PDBe:5s79, PDBj:5s79
PDBsum5s79
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

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