Structure of PDB 5i8s Chain A Binding Site BS01

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 IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain5i8s Chain A Residue 201 [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)		H88 H90 E94 H133
Binding residue
(residue number reindexed from 1)		H88 H90 E94 H133
Annotation score1
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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