Structure of PDB 5i8s Chain A Binding Site BS02

Receptor Information
>5i8s 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 IDLEA
InChIInChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyNQPDZGIKBAWPEJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCC
OpenEye OEToolkits 1.7.6CCCCC(=O)O
CACTVS 3.370CCCCC(O)=O
FormulaC5 H10 O2
NamePENTANOIC ACID;
VALERIC ACID
ChEMBLCHEMBL268736
DrugBankDB02406
ZINCZINC000031500905
PDB chain5i8s 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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PDB5i8s Metal-Dependent Function of a Mammalian Acireductone Dioxygenase.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		F84 R96 F135
Binding residue
(residue number reindexed from 1)		F84 R96 F135
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:5i8s, PDBe:5i8s, PDBj:5i8s
PDBsum5i8s
PubMed26858196
UniProtQ99JT9|MTND_MOUSE Acireductone dioxygenase (Gene Name=Adi1)

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