Structure of PDB 5nrz Chain A Binding Site BS01

Receptor Information
>5nrz Chain A (length=381) Species: 330879 (Aspergillus fumigatus Af293) [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 IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain5nrz 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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PDB5nrz Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		E134 H203 H224
Binding residue
(residue number reindexed from 1)		E131 H200 H221
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:5nrz, PDBe:5nrz, PDBj:5nrz
PDBsum5nrz
PubMed28525266
UniProtQ4WMJ8|GLIJ_ASPFU Dipeptidase gliJ (Gene Name=gliJ)

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