Structure of PDB 6iqd Chain D Binding Site BS01

Receptor Information

>6iqd Chain D (length=336) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKAAVVNEFKKALEIKEVERPKLEEGEVLVKIEACGVCHTDLHAAHGDWP
IKPKLPLIPGHEGVGIVVEVAKGVKSIKVGDRVGIPWLYSACGECEYCLT
GQETLCPHQLNGGYSVDGGYAEYCKAPADYVAKIPDNLDPVEVAPILCAG
VTTYKALKVSGARPGEWVAIYGIGGLGHIALQYAKAMGLNVVAVDISDEK
SKLAKDLGADIAINGLKEDPVKAIHDQVGGVHAAISVAVNKKAFEQAYQS
VKRGGTLVVVGLPNADLPIPIFDTVLNGVSVKGSIVGTRKDMQEALDFAA
RGKVRPIVETAELEEINEVFERMEKGKINGRIVLKL

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

6iqd Chain D Residue 400 [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	6iqd Characterization of the substrate scope of an alcohol dehydrogenase commonly used as methanol dehydrogenase.
Resolution	2.84 Å
Binding residue (original residue number in PDB)	C92 C95 C98 C106
Binding residue (residue number reindexed from 1)	C92 C95 C98 C106
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	C38 T40 H43 H61 C148
Catalytic site (residue number reindexed from 1)	C38 T40 H43 H61 C148
Enzyme Commision number	1.1.1.1: alcohol dehydrogenase.

Gene Ontology

	Molecular Function
GO:0004022	alcohol dehydrogenase (NAD+) activity
GO:0008270	zinc ion binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:6iqd, PDBe:6iqd, PDBj:6iqd
PDBsum	6iqd
PubMed	31006524
UniProt	P42327\|ADH2_GEOSE Alcohol dehydrogenase (Gene Name=adh)

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