Structure of PDB 7c2o Chain A Binding Site BS01

Receptor Information

>7c2o Chain A (length=365) Species: 5480 (Candida parapsilosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KAVPDKFQGFAVSDPKNWNRPKLASYERKQINPHDVVLKNEVCGLCYSDI
HTLSAGWQPLQRDNLVVGHEIIGEVIAVGDEVTEFKVGDRVGIGAASSSC
RSCQRCDSDNEQYCKQGAATYNSKDVRSNNYVTQGGYSSHSIADEKFVFA
IPEDLPSSYGAPLMCAGITVFSPLIRNLGLDARGKNVGIIGIGGLGHLAL
QFANAMGANVTAFSRSSSKKEQAMKLGAHDFVATGEDKTWYKNYDDHFDF
ILNCASGIDGLNLSEYLSTLKVDKKFVSVGLPPSEDKFEVSPFTFLQQGA
SFGSSLLGSKTEVKEMLNLAAKHNVRPMIEEVPISEENCAKALDRCHAGD
VRYRFVFTDFDKAFK

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

7c2o Chain A 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	7c2o Crystal structure of the R-specific Carbonyl Reductase from Candida parapsilosis ATCC 7330 without DTT
Resolution	2.9 Å
Binding residue (original residue number in PDB)	C102 C105 C116
Binding residue (residue number reindexed from 1)	C100 C103 C114
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0008106	alcohol dehydrogenase (NADP+) 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

	Biological Process
GO:0006066	alcohol metabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:7c2o, PDBe:7c2o, PDBj:7c2o
PDBsum	7c2o
PubMed
UniProt	M4VRJ6

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