Structure of PDB 7b4o Chain BBB Binding Site BS02

Receptor Information
>7b4o Chain BBB (length=150) Species: 1797313 (Bacteroidetes bacterium GWA2_30_7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKTQKAVCVIYPTQDYKVTGVITFTKSDDGVKVVADLNGLSPGKHGFHIH
ECGDCSASDGTSAGGHFNPEEKSHGAPMDMSRHIGDLGNITADENGKAHL
EYIDKMIVFEGEHSIIGRSMIVHKNEDDLKTQPTGNAGARVACGVIGIGK
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 chain7b4o Chain BBB Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7b4o Bacterial Evolutionary Precursors of Eukaryotic Copper-Zinc Superoxide Dismutases.
Resolution1.41 Å
Binding residue
(original residue number in PDB)		H69 H77 H86 D89
Binding residue
(residue number reindexed from 1)		H66 H74 H83 D86
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H51 H53 H69 H77 H86 D89 H126 R143
Catalytic site (residue number reindexed from 1) H48 H50 H66 H74 H83 D86 H123 R140
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7b4o, PDBe:7b4o, PDBj:7b4o
PDBsum7b4o
PubMed34021750
UniProtA0A1F3DVA5

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