Structure of PDB 5i93 Chain A Binding Site BS02

Receptor Information
>5i93 Chain A (length=179) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVQAWYMDESTADPRKPHRAQPDRPVSLEQLRTLGVLYWKLDADKYENDP
ELEKIRKMRNYSWMDIITICKDTLPNYEEKIKMFFEEHLHLDEEIRYILE
GSGYFDVRDKEDKWIRISMEKGDMITLPAGIYHRFTLDEKNYVKAMRLFV
GEPVWTPYNRPADHFDARVQYMSFLEGTA
Ligand information
Ligand ID69O
InChIInChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChIKeyKDVFRMMRZOCFLS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CCCC(C(O)=O)=O
CACTVS 3.385CCCC(=O)C(O)=O
OpenEye OEToolkits 2.0.4CCCC(=O)C(=O)O
FormulaC5 H8 O3
Name2-oxopentanoic acid;
2-Ketopentanoic acid
ChEMBLCHEMBL1162544
DrugBank
ZINCZINC000001532684
PDB chain5i93 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5i93 Metal-Dependent Function of a Mammalian Acireductone Dioxygenase.
Resolution2.236 Å
Binding residue
(original residue number in PDB)		F84 R96
Binding residue
(residue number reindexed from 1)		F84 R96
Annotation score2
Enzymatic activity
Enzyme Commision number 1.13.11.53: acireductone dioxygenase (Ni(2+)-requiring).
1.13.11.54: acireductone dioxygenase (Fe(2+)-requiring).
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0010308 acireductone dioxygenase (Ni2+-requiring) activity
GO:0010309 acireductone dioxygenase [iron(II)-requiring] activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0009086 methionine biosynthetic process
GO:0019509 L-methionine salvage from methylthioadenosine
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5i93, PDBe:5i93, PDBj:5i93
PDBsum5i93
PubMed26858196
UniProtQ99JT9|MTND_MOUSE Acireductone dioxygenase (Gene Name=Adi1)

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