Structure of PDB 7bgo Chain BBB Binding Site BS01

Receptor Information
>7bgo Chain BBB (length=143) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKHEHGVAQLNVALDGKTLELELDSPAMNLVGFEHAASTDADKAAVAKAR
AQLEKPLELFALPVTAGCSVASQELRSPLFGDGHADIHAHYQLSCEKPEL
LKLLTLAEFFKRFPATQKIQVQLIGPDGQKGADLAPASAELKL
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 chain7bgo Chain BBB Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bgo Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking by Pseudomonas aeruginosa.
Resolution3.301 Å
Binding residue
(original residue number in PDB)
E87 H124 H126
Binding residue
(residue number reindexed from 1)
E74 H88 H90
Annotation score4
External links