Structure of PDB 2anz Chain A Binding Site BS02

Receptor Information
>2anz Chain A (length=291) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHI
SGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWIS
SGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGY
VRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEFY
LNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYAN
DQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL
Ligand information
Ligand ID26D
InChIInChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8)
InChIKeyVHNQIURBCCNWDN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n1c(N)cccc1N
OpenEye OEToolkits 1.5.0c1cc(nc(c1)N)N
CACTVS 3.341Nc1cccc(N)n1
FormulaC5 H7 N3
NamePYRIDINE-2,6-DIAMINE
ChEMBLCHEMBL339234
DrugBank
ZINCZINC000000333587
PDB chain2anz Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2anz Probing molecular docking in a charged model binding site.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H175 G178 K179 T180 G191 M230 D235
Binding residue
(residue number reindexed from 1)		H172 G175 K176 T177 G188 M227 D232
Annotation score1
Binding affinityMOAD: Kd=0.06mM
Enzymatic activity
Catalytic site (original residue number in PDB) R48 H52 H175 G191 D235
Catalytic site (residue number reindexed from 1) R45 H49 H172 G188 D232
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:2anz, PDBe:2anz, PDBj:2anz
PDBsum2anz
PubMed16490206
UniProtP00431|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)

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