Structure of PDB 7d17 Chain A Binding Site BS01

Receptor Information
>7d17 Chain A (length=321) Species: 282301 (Macrostomum lignano) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STGCPDVTTFASAVEPFDSSQMRALRNLSTKDRLIQLAQPLLVERPVGSK
NHDIVRDYLVSSMRKLSWSVSFDSFEQDTVDGRHKFDNIIASLHPNAPRK
LVLAAHFESKKMPGFIGAIDSAVPCAILLQLAEALTPLVRELGLQFVFFD
GEEAFQAWTATDSIYGARHLAARWSAEKGVSPDCTVLKEMDSLVLLDLIG
HKNTQFCYLSHGSSNRALVDKEKALFSGLVSAETRLRKSGLLSDSKGATF
FQPVVRYGQIEDDHVPFRQRQVPVVHIIAVPFPPVWHNINDNADNINWDQ
SEDIGAIVQLWTAEMLHLRPI
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 chain7d17 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7d17 A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
Resolution2.998 Å
Binding residue
(original residue number in PDB)		D148 E189 H323
Binding residue
(residue number reindexed from 1)		D120 E153 H287
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.5: glutaminyl-peptide cyclotransferase.
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:7d17, PDBe:7d17, PDBj:7d17
PDBsum7d17
PubMed33774034
UniProtA0A267GXB9

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