Structure of PDB 2iuf Chain E Binding Site BS03

Receptor Information
>2iuf Chain E (length=688) Species: 5079 (Penicillium janthinellum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQFLSQFYLNDQDVYLTSNVGGPIQDENSLSAGQRGATLLQDFIFREKIQ
RFDHERVPERAVHARGTGAHGTFTSYGDWSNLTAASFLSAEGKETPMFTR
FSTVAGSRGSADTARDVHGFATRFYTDEGNFDIVGNNIPVFFIQDAILFP
DLIHAVKPRGDNQIPQAATAHDSAWDFFSQQPSVLHTLLWAMAGHGIPRS
FRHVNGFGVHTFRLVTDDGKTKLVKFHWKGLQGKASFVWEEAQQTAGKNA
DFMRQDLFQSIQAGRFPEWELGVQIMQEQDQLKFGFDLLDPTKIVPEELV
PVTILGKMQLNRNPMNYFAETEQVMFQPGHIVRGVDFTEDPLLQGRLFSY
LDTQLNRHGGPNFEQLPINRPRAPIHNNNRDGAGQMFIPLDPNAYSPNTE
NKGSPKQANETVGKGFFTAPERTASGKLQRTLSTTFENNWSQPRLFWNSL
VNAQKEFIVDAMRFETSNVSSSVVRDDVIIQLNRISDNLATRVASAIGVE
APKPNSSFYHDNTTAHIGAFGEKLAKLDGLKVGLLASVNKPASIAQGAKL
QVALSSVGVDVVVVAERMANNVDETYSASDAVQFDAVVVADGAEGLFGAD
SFTVEPSAGSGASTLYPAGRPLNILLDAFRFGKTVGALGSGSDALESGQI
SSERQGVYTGKNAGDAFAKDIKSGLSTFKFLDRFAVDE
Ligand information
Ligand IDF50
InChIInChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3
InChIKeyKFSLWBXXFJQRDL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)OO
ACDLabs 10.04O=C(OO)C
FormulaC2 H4 O3
NameETHANEPEROXOIC ACID
ChEMBLCHEMBL444965
DrugBankDB14556
ZINCZINC000038141555
PDB chain2iuf Chain E Residue 1700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2iuf The Structures and Electronic Configuration of Compound I Intermediates of Helicobacter Pylori and Penicillium Vitale Catalases Determined by X-Ray Crystallography and Qm/Mm Density Functional Theory Calculations.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		R116 T170 A192
Binding residue
(residue number reindexed from 1)		R115 T169 A191
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.6: catalase.
Gene Ontology
Molecular Function
GO:0004096 catalase activity
GO:0004601 peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006979 response to oxidative stress
GO:0042744 hydrogen peroxide catabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2iuf, PDBe:2iuf, PDBj:2iuf
PDBsum2iuf
PubMed17358056
UniProtD9N167

[Back to BioLiP]