Structure of PDB 5s7f Chain A Binding Site BS04

Receptor Information
>5s7f 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 IDXH4
InChIInChI=1S/C4H10N2O/c7-3-4-1-2-5-6-4/h4-7H,1-3H2/t4-/m1/s1
InChIKeyFBDFRVVUQCCDAI-SCSAIBSYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OCC1NNCC1
OpenEye OEToolkits 2.0.7C1CNNC1CO
CACTVS 3.385OC[CH]1CCNN1
OpenEye OEToolkits 2.0.7C1CNN[C@@H]1CO
CACTVS 3.385OC[C@@H]1CCNN1
FormulaC4 H10 N2 O
Name[(3R)-pyrazolidin-3-yl]methanol
ChEMBL
DrugBank
ZINC
PDB chain5s7f Chain B Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5s7f XChem group deposition
Resolution1.31 Å
Binding residue
(original residue number in PDB)		K493 T496 K497
Binding residue
(residue number reindexed from 1)		K277 T280 K281
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:5s7f, PDBe:5s7f, PDBj:5s7f
PDBsum5s7f
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

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