Structure of PDB 5ns5 Chain A Binding Site BS03

Receptor Information
>5ns5 Chain A (length=381) Species: 746128 (Aspergillus fumigatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPIEEQATRLLKEVPLIDGHNDFPYMIRGWFRNDINGQDAHLYDMPIGQT
DLQRLQKGLLGGQFWSAFVPCPKNPDKEVGSLEALRQTLQQLDVIHRLIE
RHPTILQFADSAASIWSSFRAGRVASLIGIEGLHQIADSVSALRMLHRLG
VRYVTLTHNCHNAFADAATVSPELHGGLSRKGERLIRELNRMGMMIDLSH
TSHEAQTQALRLSRAPVIYSHSSIYSLRAHARNVTDENLHLLHRNRGVVM
ICFLRELLASEADQATLAHVIDHIIYAGTRIGYEHVGIGSDFDGMLRGPD
GLHDVSCYPALVAGLLERGVSEEDVKRVMGLNVIRVLEEVERVAAELQGA
GEECLCDELDEVWNEDIKEQLTRERERVRKL
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain5ns5 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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PDB5ns5 Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H23 D25 E134
Binding residue
(residue number reindexed from 1)		H20 D22 E131
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H23 D25 E134 H161 H203 H224 D294
Catalytic site (residue number reindexed from 1) H20 D22 E131 H158 H200 H221 D291
Enzyme Commision number 3.4.13.19: membrane dipeptidase.
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0016805 dipeptidase activity
GO:0046872 metal ion binding
GO:0070573 metallodipeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0043386 mycotoxin biosynthetic process
GO:0052562 symbiont-mediated suppression of host immune response
GO:2001310 gliotoxin biosynthetic process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ns5, PDBe:5ns5, PDBj:5ns5
PDBsum5ns5
PubMed28525266
UniProtQ4WMJ8|GLIJ_ASPFU Dipeptidase gliJ (Gene Name=gliJ)

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