Structure of PDB 5ydv Chain A Binding Site BS01

Receptor Information
>5ydv Chain A (length=209) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMDYTLRKIKIAAAHSLSLGLLPTIVKQMPTQFTYAVEAIDVDQAVDML
REGQSDFIFSYHDENLQQAPFDNIRLFESRLFPVCANNGRGEPRYTLEQP
HFPLLNYSQNSYMGRLINRTLTRHAELSFSTFFVSSMSELLKQVAMDGCG
IAWLPEYAIRQEITDGRLIVLDADELVIPIQAYAYRMNTRMSQVAETFWR
DLRGLQAAL
Ligand information
Ligand ID8TR
InChIInChI=1S/ClHO/c1-2/h2H
InChIKeyQWPPOHNGKGFGJK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6
OCl
FormulaCl H O
Namehypochlorous acid
ChEMBLCHEMBL1616046
DrugBankDB14135
ZINC
PDB chain5ydv Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ydv Structural basis for HOCl recognition and regulation mechanisms of HypT, a hypochlorite-specific transcriptional regulator.
Resolution1.752 Å
Binding residue
(original residue number in PDB)
S110 Y205 M206
Binding residue
(residue number reindexed from 1)
S17 Y112 M113
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links