Structure of PDB 4fwu Chain A Binding Site BS01

Receptor Information
>4fwu Chain A (length=299) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QWRDDEVHFNRTLDSILVPRVVGSRGHQQVREYLVQSLNGLGFQTEVDEF
KQRVPVFGELTFANVVGTINPQAQNFLALACHYDSKYFPNDPGFVGATDS
AVPCAILLNTAKTLGAYLQKEFRNRSDVGLMLIFFDGEEAFKEWTDADSV
YGSKHLAAKLASAQLAPRNIDRIEVLVLLDLIGARNPKFSSFYENTDGLH
SSLVQIEKSLRTAGQLEGNNNMFLSRVSGGLVDDDHRPFLDENVPVLHLV
ATPFPDVWHTPRDNAANLHWPSIRNFNRVFRNFVYQYLKRHTSPVNLRF
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 chain4fwu 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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PDB4fwu Structure of glutaminyl cyclase from Drosophila melanogaster in space group I4.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D131 E171 H297
Binding residue
(residue number reindexed from 1)		D99 E139 H259
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
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:4fwu, PDBe:4fwu, PDBj:4fwu
PDBsum4fwu
PubMed23545638
UniProtQ9VRQ9|QPCT1_DROME Glutaminyl-peptide cyclotransferase (Gene Name=QC)

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