Structure of PDB 7cje Chain A Binding Site BS01

Receptor Information
>7cje Chain A (length=288) Species: 242619 (Porphyromonas gingivalis W83) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADLFSADSAYTFVQRQVNFGPRIPGTAPHRACGDWLVATLRSFGAAVQEQ
TAEIKAHDGTMLPMRNIIASYRPEATGRMLLMAHWDTRPVCDQDANPAMH
TETFDGADDGGSGVGVLLEIARYLGQQKDLGMGIDIVFFDTEDYGSYGDD
ESWCLGSQYWSRNPHVAGYKAEAGILLDMVGAKGATFYWEYFSKSYAPGL
ISAVWQTAAALGYGNYFIQADGGALTDDHVPVIKNLGIPCIDIINYSSKN
EHGFGDHWHTQRDNMQIIDKNVLDAVGETVIRYLDEQV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7cje Chain A 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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PDB7cje Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase.
Resolution1.95001 Å
Binding residue
(original residue number in PDB)		D149 D183 H299
Binding residue
(residue number reindexed from 1)		D109 D143 H259
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016603 glutaminyl-peptide cyclotransferase activity
GO:0016746 acyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7cje, PDBe:7cje, PDBj:7cje
PDBsum7cje
PubMed33823093
UniProtQ7MT37

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