Structure of PDB 3pii Chain A Binding Site BS01

Receptor Information

>3pii Chain A (length=337) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKAAVVEQFKEPLKIKEVEKPTISYGEVLVRIKACGVCHTDLHAAHGDWP
VKPKLPLIPGHEGVGIVEEVGPGVTHLKVGDRVGIPWLYSACGHCDYCLS
GQETLCEHQKNAGYSVDGGYAEYCRAAADYVVKIPDNLSFEEAAPIFCAG
VTTYKALKVTGAKPGEWVAIYGIGGFGHVAVQYAKAMGLNVVAVDIGDEK
LELAKELGADLVVNPLKEDAAKFMKEKVGGVHAAVVTAVSKPAFQSAYNS
IRRGGACVLVGLPPEEMPIPIFDTVLNGIKIIGSIVGTRKDLQEALQFAA
EGKVKTIIEVQPLEKINEVFDRMLKGQINGRVVLTLE

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

3pii Chain A Residue 340 [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	3pii Crystal Structure of mutant of ht- Alcohol dehydrogenase
Resolution	2.9 Å
Binding residue (original residue number in PDB)	C38 H61 E62 C148
Binding residue (residue number reindexed from 1)	C38 H61 E62 C148
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	C38 H39 T40 H43 H61 E62 C92 C95 C98 C106 K110 C148 T152 R331
Catalytic site (residue number reindexed from 1)	C38 H39 T40 H43 H61 E62 C92 C95 C98 C106 K110 C148 T152 R331
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:3pii, PDBe:3pii, PDBj:3pii
PDBsum	3pii
PubMed
UniProt	P42328\|ADH3_GEOSE Alcohol dehydrogenase

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