Structure of PDB 5kbh Chain A Binding Site BS01

Receptor Information
>5kbh Chain A (length=202) Species: 471 (Acinetobacter calcoaceticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQNKDIQDLLDKIVFDAQHGQIWFDENRMLLMHTSILGFLRKDLYQMLGL
ERTKRFFIRCGYQAGMRDAEVTSKLRPNLNEAEAFMAGPQMHGIRGMVQV
EVNELHLSHDLKQFYADFNWLNSFEAEVHLSEFGASDQPACWMLLGYACG
YSSFVMGQTIIYQETHCVAQGDEHCRIIGKPLSEWENDAVSDEIIALQAE
LN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5kbh Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5kbh Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		C155 E178 C181 C189
Binding residue
(residue number reindexed from 1)		C141 E164 C167 C175
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5kbh, PDBe:5kbh, PDBj:5kbh
PDBsum5kbh
PubMed27362503
UniProtQ43965|MOPR_ACIGI Phenol regulator MopR (Gene Name=mopR)

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