Structure of PDB 6z42 Chain B Binding Site BS01

Receptor Information

>6z42 Chain B (length=334) Species: 768066 (Halomonas elongata DSM 2581) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TMKSAVVRTFREPLVIEEVPVPPGPGEILVKVAASGVCHTDLHAARGDWP
VKPEPPIPGHEGVGHVVAVGRGVQHVKEGDRVGVPWLYSTCGHCEHCLGG
WETLCESQQNTGYSVNGGFAEYTLAQADYVGKLPDNVGFVEIAPVLCAGV
TVYKGLKMTDTRPGQWVVISIGGLGHMAVQYARAMGLNVAAVDVDDAKLA
LAERLGATITVNAMQTDPARYLKQTIGGAHGALVTAVSPKAFEQALGMIR
RGGTVALNGLPPGDFPLPIFDMVLNGITVRSIVGTRLDLQEALDFAGEGK
VQATVKTEKLENINTVFDQMTQGHIEGRIVLDLA

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

6z42 Chain B 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	6z42 Uncommon overoxidative catalytic activity in a new halo-tolerant alcohol dehydrogenase
Resolution	4.0 Å
Binding residue (original residue number in PDB)	C42 T44 H65
Binding residue (residue number reindexed from 1)	C38 T40 H60
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	C42 T44 H47 H65 C152
Catalytic site (residue number reindexed from 1)	C38 T40 H43 H60 C147
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:0016616	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:6z42, PDBe:6z42, PDBj:6z42
PDBsum	6z42
PubMed
UniProt	E1V3M3

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