Structure of PDB 5cic Chain C Binding Site BS02

Receptor Information
>5cic Chain C (length=294) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTPLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLA
WHISGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFP
WISSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKD
AGYVRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTN
EFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKE
YANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL
Ligand information
Ligand ID51R
InChIInChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2
InChIKeyVIUDTWATMPPKEL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1cccc(c1)C(F)(F)F
ACDLabs 12.01c1ccc(cc1C(F)(F)F)N
OpenEye OEToolkits 1.9.2c1cc(cc(c1)N)C(F)(F)F
FormulaC7 H6 F3 N
Name3-(trifluoromethyl)aniline
ChEMBLCHEMBL1162293
DrugBank
ZINCZINC000006535059
PDB chain5cic Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5cic Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Resolution2.103 Å
Binding residue
(original residue number in PDB)		H175 L177 K179 T180 G191 M230 M231 D235
Binding residue
(residue number reindexed from 1)		H175 L177 K179 T180 G191 M230 M231 D235
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R48 H52 H175 G191 D235
Catalytic site (residue number reindexed from 1) R48 H52 H175 G191 D235
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:5cic, PDBe:5cic, PDBj:5cic
PDBsum5cic
PubMed27499202
UniProtP00431|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)

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