Structure of PDB 2rc2 Chain X Binding Site BS02

Receptor Information

>2rc2 Chain X (length=292) Species: 307796 (Saccharomyces cerevisiae YJM789) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWH
ISGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWI
SSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAG
YVRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEF
YLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYA
NDQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL

Ligand information

Ligand ID

286

InChI

InChI=1S/C8H10N/c1-3-8-6-4-5-7-9(8)2/h3-7H,1H2,2H3/q+1

InChIKey

DTJIKSRARSRPBU-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	C[n+]1ccccc1C=C
ACDLabs 10.04	C=C\c1[n+](cccc1)C

Formula

C8 H10 N

Name

2-ethenyl-1-methylpyridinium

PDB chain

2rc2 Chain X Residue 2001 [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	2rc2 Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
Resolution	1.5 Å
Binding residue (original residue number in PDB)	H175 L177 T180 P190 M230 D235
Binding residue (residue number reindexed from 1)	H173 L175 T178 P188 M228 D233
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.11.1.5: cytochrome-c peroxidase.

Gene Ontology

	Molecular Function
GO:0004601	peroxidase activity
GO:0020037	heme binding

	Biological Process
GO:0006979	response to oxidative stress
GO:0034599	cellular response to oxidative stress

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Molecular Function

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Biological Process

External links

PDB	RCSB:2rc2, PDBe:2rc2, PDBj:2rc2
PDBsum	2rc2
PubMed	18280498
UniProt	P00431\|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)

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