Structure of PDB 4qgn Chain A Binding Site BS01

Receptor Information
>4qgn Chain A (length=178) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVQAWYMDDAPGDPRQPHRPDPGRPVGLEQLRRLGVLYWKLDADKYENDP
ELEKIRRERNYSWMDIITICKDKLPNYEEKIKMFYEEHLHLDDEIRYILD
GSGYFDVRDKEDQWIRIFMEKGDMVTLPAGIYHRFTVDEKNYTKAMRLFV
GEPVWTAYNRPADHFEARGQYVKFLAQT
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4qgn 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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PDB4qgn On the Structure and Reaction Mechanism of Human Acireductone Dioxygenase.
Resolution3.05 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:0005515 protein 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:0006555 methionine metabolic process
GO:0009086 methionine biosynthetic process
GO:0019509 L-methionine salvage from methylthioadenosine
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
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:4qgn, PDBe:4qgn, PDBj:4qgn
PDBsum4qgn
PubMed29193386
UniProtQ9BV57|MTND_HUMAN Acireductone dioxygenase (Gene Name=ADI1)

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