Structure of PDB 7d1d Chain A Binding Site BS02

Receptor Information
>7d1d Chain A (length=294) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVNVPQFDADSAYLYVKNQVDFGPRVPNTKEHVACGNYLAGKLEAFGAKV
TNQYADLIAYDGTLLKARNIIGSYKPESKKRIALFAHWDTRPWADNDADE
KNHHTPILGANDGASGVGALLEIARLVNQQQPELGIDIIFLDAEDYGTPQ
FYEGKHKEEAWCLGSQYWSRNPHVQGYNARFGILLDMVGGENSVFLKEGY
SEEFAPDINKKVWKAAKKAGYGKTFIDERGDTITDDHLFINRLARIKTID
IIPNDPETGFPPTWHTIHDNMDHIDKNTLKAVGQTVLEVIYNEK
Ligand information
Ligand ID1BN
InChIInChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
InChIKeyKKKDZZRICRFGSD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C(n1ccnc1)c2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)Cn2ccnc2
ACDLabs 10.04n1ccn(c1)Cc2ccccc2
FormulaC10 H10 N2
Name1-BENZYL-1H-IMIDAZOLE;
1-BENZYLIMIDAZOLE
ChEMBLCHEMBL14192
DrugBankDB04581
ZINCZINC000000169811
PDB chain7d1d 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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PDB7d1d A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D149 E181 D182 W198 D223 T271 F297 W301
Binding residue
(residue number reindexed from 1)		D112 E144 D145 W161 D186 T234 F260 W264
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
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:7d1d, PDBe:7d1d, PDBj:7d1d
PDBsum7d1d
PubMed33774034
UniProtQ8A4P9

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