Structure of PDB 1vj0 Chain D Binding Site BS02

Receptor Information

>1vj0 Chain D (length=365) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GLKAHAMVLEKFNQPLVYKEFEISDIPRGSILVEILSAGVCGSDVHMFRG
EDPRVPLPIILGHEGAGRVVEVNGEKRDLNGELLKPGDLIVWNRGITCGE
CYWCKVSKEPYLCPNRKVYGINRGCSEYPHLRGCYSSHIVLDPETDVLKV
SEKDDLDVLAMAMCSGATAYHAFDEYPESFAGKTVVIQGAGPLGLFGVVI
ARSLGAENVIVIAGSPNRLKLAEEIGADLTLNRRETSVEERRKAIMDITH
GRGADFILEATGDSRALLEGSELLRRGGFYSVAGVAVPQDPVPFKVYEWL
VLKNATFKGIWVSDTSHFVKTVSITSRNYQLLSKLITHRLPLKEANKALE
LMESREALKVILYPE

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

1vj0 Chain D Residue 401 [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	1vj0 Crystal structure of Alcohol dehydrogenase (TM0436) from Thermotoga maritima at 2.00 A resolution
Resolution	2.0 Å
Binding residue (original residue number in PDB)	C43 H65 E66 C166
Binding residue (residue number reindexed from 1)	C41 H63 E64 C164
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	C43 G44 S45 H48 H65 E66 C100 C103 C106 C115 K119 C166 T170 K361
Catalytic site (residue number reindexed from 1)	C41 G42 S43 H46 H63 E64 C98 C101 C104 C113 K117 C164 T168 K359
Enzyme Commision number	1.1.1.1: alcohol dehydrogenase.

Gene Ontology

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

View graph for
Molecular Function

External links

PDB	RCSB:1vj0, PDBe:1vj0, PDBj:1vj0
PDBsum	1vj0
PubMed
UniProt	Q9WYR7

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