Structure of PDB 7qul Chain A Binding Site BS02

Receptor Information

>7qul Chain A (length=351) Species: 59405 (Thauera aromatica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SNPHRWMMTSPGAPMVRAEFEIGELSADQVVVAVAGCGVCHTDLGYYYDS
VRTNHALPLALGHEISGRVVQAGANAAQWLGRAVIVPAVMPCGTCELCTS
GTICRDQVMPGNDIQGGFASHVVVPARGLCPVDEARLAAAGLQLADVSVV
ADAVTTPYQAVLQAGVEPGDVAVVIGVGGVGGYAVQIANAFGASVVAIDV
DPAKLEMMSKHGAALTLNAREISGRDLKKAIEAHAKANGLRLTRWKIFEC
SGTGAGQTSAYGLLTHGATLAVVGFTMDKVEVRLSNLMAFHARALGNWGC
LPEYYPAALDLVLDAAIDLASFIERHPLDQIGEVFAAAHAHKLTRRAILT
P

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

7qul Chain A Residue 404 [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	7qul Advanced Insights into Catalytic and Structural Features of the Zinc-Dependent Alcohol Dehydrogenase from Thauera aromatica.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	C42 H65 E66 D156
Binding residue (residue number reindexed from 1)	C40 H63 E64 D152
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.1.1.368: 6-hydroxycyclohex-1-ene-1-carbonyl-CoA dehydrogenase.

Gene Ontology

	Molecular Function
GO:0008270	zinc ion binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding

	Biological Process
GO:1901788	benzoyl-CoA catabolic process

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Molecular Function

View graph for
Biological Process

External links

PDB	RCSB:7qul, PDBe:7qul, PDBj:7qul
PDBsum	7qul
PubMed	35557486
UniProt	O87871\|HAD_THAAR 6-hydroxycyclohex-1-ene-1-carbonyl-CoA dehydrogenase (Gene Name=had)

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