Structure of PDB 8re0 Chain A Binding Site BS01

Receptor Information

>8re0 Chain A (length=452) Species: 471 (Acinetobacter calcoaceticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DVPLTPSQFAKAKSENFDKKVILSNLNKPHALLWGPDNQIWLTERATGKI
LRVNPESGSVKTVFQVPEIVNDADGQNGLLGFAFHPDFKNNPYIYISGTF
KNPKSTDKELPNQTIIRRYTYNKSTDTLEKPVDLLAGLPSSKDHQSGRLV
IGPDQKIYYTIGDQGRNQLAYLFLPNQAQHTPTQQELNGKDYHTYMGKVL
RLNLDGSIPKDNPSFNGVVSHIYTLGHRNPQGLAFTPNGKLLQSEQGPNS
DDEINLIVKGGNYGWPNVAGYKDDSGYAYANYSAAANKSIKDLAQNGVKV
AAGVPVTKESEWTGKNFVPPLKTLYTVQDTYNYNDPTCGEMTFICWPTVA
PSSAYVYKGGKKAITGWENTLLVPSLKRGVIFRIKLDPTYSTTYDDAVPM
FKSNNRYRDVIASPDGNVLYVLTDTAGNVQKDDGSVTNTLENPGSLIKFT
YK

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

8re0 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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Structure summary

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PDB	8re0 Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2?
Resolution	1.56 Å
Binding residue (original residue number in PDB)	G247 P248
Binding residue (residue number reindexed from 1)	G247 P248
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.1.5.2: quinoprotein glucose dehydrogenase (PQQ, quinone).

Gene Ontology

	Molecular Function
GO:0008876	quinoprotein glucose dehydrogenase activity
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:8re0, PDBe:8re0, PDBj:8re0
PDBsum	8re0
PubMed	38687614
UniProt	P13650\|DHGB_ACICA Quinoprotein glucose dehydrogenase B (Gene Name=gdhB)

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