Structure of PDB 7zs8 Chain A Binding Site BS03

Receptor Information
>7zs8 Chain A (length=329) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGEDQDLLKRAQGVFQPLPTVEEMQKIRPFTEEQVKLGHQLWYEPRLSKG
NTVSCNSCHNLASAGVDNMPTSQGHKGQFGGRNSPTALNAALLGSQFWDG
RAADVEEQAGGPLVNPVEMANDSQEAAAAKIAKVPEYQEMFKKAFPEDGA
VSFKNITTALGAFERTLLTPTKWDEYLKGNVNALSEQERKGVRAFMDNGC
IACHNGVNLGGTTFQKFGLVQGPYWKFIEDPKRDKGRADVTKKTEDEFFF
RVPGLRNVAKTYPYFHNGSVWELDKAVTIMGKAQLGKDIPKEDVDNIVVF
LNALSGNVSESARTMPELPLTAPMESKPD
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 chain7zs8 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zs8 Structural Characterization of Neisseria gonorrhoeae Bacterial Peroxidase-Insights into the Catalytic Cycle of Bacterial Peroxidases.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		N83 T261 P263
Binding residue
(residue number reindexed from 1)		N83 T261 P263
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:7zs8, PDBe:7zs8, PDBj:7zs8
PDBsum7zs8
PubMed37047219
UniProtA0A1D3HIT0

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