Structure of PDB 5s7l Chain B Binding Site BS05

Receptor Information
>5s7l 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 IDXHJ
InChIInChI=1S/C3H9N3/c4-3-1-2-5-6-3/h3,5-6H,1-2,4H2/t3-/m0/s1
InChIKeyLVMKSXJAVMOGQR-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01NC1NNCC1
OpenEye OEToolkits 2.0.7C1CNNC1N
OpenEye OEToolkits 2.0.7C1CNN[C@@H]1N
CACTVS 3.385N[CH]1CCNN1
CACTVS 3.385N[C@@H]1CCNN1
FormulaC3 H9 N3
Name(3S)-pyrazolidin-3-amine
ChEMBL
DrugBank
ZINC
PDB chain5s7l Chain B Residue 508 [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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PDB5s7l XChem group deposition
Resolution1.36 Å
Binding residue
(original residue number in PDB)		Y252 R258 F265
Binding residue
(residue number reindexed from 1)		Y48 R54 F61
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:5s7l, PDBe:5s7l, PDBj:5s7l
PDBsum5s7l
PubMed
UniProtQ04771|ACVR1_HUMAN Activin receptor type-1 (Gene Name=ACVR1)

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