Structure of PDB 6isv Chain B Binding Site BS03

Receptor Information

>6isv Chain B (length=341) Species: 1173061 (Geotrichum candidum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GKVPETHKGYVFTSGSSRLTLKDVPTYKPGPGEVLLKLEASGVCHSDLHI
LQGSFPIPSNSVLGHEITGTVVAYGLGVDPKTYPEGQLYAAHGPNPCGSC
RECRSGKDNLCHAENRTNYGLGYPGGYQQYTLAKVHNLIKVPDGVGAAIA
AVTTDAVLTPYHAFKKADINGLSKILIIGLGGLGINAVQIAKAMGAHVTA
YDLKESSRQLARQFGADVVLESLTLDDASKEYDFVADIVSIQSTFDLALK
QVKSNGLVIPLGLGSPKLTFDQNDLLVREIRILGSFWGTSLDQAEVFDLV
KSGAFKPQVETGKFKDLNEILEKLEKGQIKSRLVLTDFDDI

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

6isv Chain B Residue 403 [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	6isv Structural basis for a highly (S)-enantioselective reductase towards aliphatic ketones with only one carbon difference between side chain.
Resolution	2.5 Å
Binding residue (original residue number in PDB)	C45 H66 D156
Binding residue (residue number reindexed from 1)	C44 H65 D155
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	C45 S47 H50 H66 D156
Catalytic site (residue number reindexed from 1)	C44 S46 H49 H65 D155
Enzyme Commision number	1.1.1.1: alcohol dehydrogenase.

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0008270	zinc ion binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:6isv, PDBe:6isv, PDBj:6isv
PDBsum	6isv
PubMed	31482280
UniProt	M5A8V4

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