Structure of PDB 6fu3 Chain B Binding Site BS01

Receptor Information
>6fu3 Chain B (length=324) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEDQDLLKRAQGVFQPLPTVEEMQKIRPFTEEQVKLGHQLWYEPRLSKGN
TVSCNSCHNLASAGVDNMPTSQGHKGQFGGRNSPTALNAALLGSQFWDGR
AADVEEQAGGPLVNPVEMANDSQEAAAAKIAKVPEYQEMFKKAFPEDGAV
SFKNITTALGAFERTLLTPTKWDEYLKGNVNALSEQERKGVRAFMDNGCI
ACHNGVNLGGTTFQKFGLVQGPYWKFIEDPKRDKGRADVTKKTEDEFFFR
VPGLRNVAKTYPYFHNGSVWELDKAVTIMGKAQLGKDIPKEDVDNIVVFL
NALSGNVSESARTMPELPLTAPME
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6fu3 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6fu3 Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N83 T261 P263
Binding residue
(residue number reindexed from 1)		N82 T260 P262
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.5: cytochrome-c peroxidase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding

View graph for
Molecular Function
External links
PDB RCSB:6fu3, PDBe:6fu3, PDBj:6fu3
PDBsum6fu3
PubMed
UniProtQ5F5Z9

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