Structure of PDB 5ydv Chain A Binding Site BS01
Receptor Information
>5ydv Chain A (length=209) Species:
90371
(Salmonella enterica subsp. enterica serovar Typhimurium) [
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GAMDYTLRKIKIAAAHSLSLGLLPTIVKQMPTQFTYAVEAIDVDQAVDML
REGQSDFIFSYHDENLQQAPFDNIRLFESRLFPVCANNGRGEPRYTLEQP
HFPLLNYSQNSYMGRLINRTLTRHAELSFSTFFVSSMSELLKQVAMDGCG
IAWLPEYAIRQEITDGRLIVLDADELVIPIQAYAYRMNTRMSQVAETFWR
DLRGLQAAL
Ligand information
Ligand ID
8TR
InChI
InChI=1S/ClHO/c1-2/h2H
InChIKey
QWPPOHNGKGFGJK-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6
OCl
Formula
Cl H O
Name
hypochlorous acid
ChEMBL
CHEMBL1616046
DrugBank
DB14135
ZINC
PDB chain
5ydv Chain A Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
5ydv
Structural basis for HOCl recognition and regulation mechanisms of HypT, a hypochlorite-specific transcriptional regulator.
Resolution
1.752 Å
Binding residue
(original residue number in PDB)
S110 Y205 M206
Binding residue
(residue number reindexed from 1)
S17 Y112 M113
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:5ydv
,
PDBe:5ydv
,
PDBj:5ydv
PDBsum
5ydv
PubMed
30733296
UniProt
Q7CP75
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