Structure of PDB 5fpe Chain A Binding Site BS02
Receptor Information
>5fpe Chain A (length=377) Species:
9606
(Homo sapiens) [
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GPAIGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGD
AAKNQVAMNPTNTIFDAKRLIGRKFEDATVQSDMKHWPFRVVSEGGKPKV
QVEYKGETKTFFPEEISSMVLTKMKEIAEAYLGGKVHSAVITVPAYFNDS
QRQATKDAGTITGLNVLRIINEPTAAAIAYGLDKKGEKNVLIFDLGGGTF
DVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVSHLAEEFKRKHKKDIGP
NKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGVDFYTSITRARFEEL
NADLFRGTLEPVEKALRDAKLDKGQIQEIVLVGGSTRIPKIQKLLQDFFN
GKELNKSINPDEAVAYGAAVQAAILIG
Ligand information
Ligand ID
3TR
InChI
InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKey
KLSJWNVTNUYHDU-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1[nH]nc(n1)N
CACTVS 3.341
Nc1n[nH]cn1
ACDLabs 10.04
n1c(nnc1)N
Formula
C2 H4 N4
Name
3-AMINO-1,2,4-TRIAZOLE;
AMITROLE
ChEMBL
CHEMBL232801
DrugBank
ZINC
ZINC000016889962
PDB chain
5fpe Chain A Residue 1386 [
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Receptor-Ligand Complex Structure
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PDB
5fpe
Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Resolution
1.96 Å
Binding residue
(original residue number in PDB)
Y149 D208 A225
Binding residue
(residue number reindexed from 1)
Y146 D201 A218
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D10 K71 E175 D201
Catalytic site (residue number reindexed from 1)
D7 K68 E172 D194
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005524
ATP binding
GO:0140662
ATP-dependent protein folding chaperone
View graph for
Molecular Function
External links
PDB
RCSB:5fpe
,
PDBe:5fpe
,
PDBj:5fpe
PDBsum
5fpe
PubMed
26655740
UniProt
P54652
|HSP72_HUMAN Heat shock-related 70 kDa protein 2 (Gene Name=HSPA2)
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