Structure of PDB 2iuw Chain A Binding Site BS03

Receptor Information
>2iuw Chain A (length=205) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMRVIDREGVYEISLSPTGVSRVCLYPGFVDVKEADWILEQLCQDVPWK
QRTGIREDITYQQPRLTAWYGELPYTYSRITMEPNPHWHPVLRTLKNRIE
ENTGHTFNSLLCNLYRNEKDSVDWHSDDEPSLGRCPIIASLSFGATRTFE
MRKKPPYVERVKIPLDHGTLLIMEGATQADWQHRVPKEYHSREPRVNLTF
RTVYP
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 chain2iuw Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2iuw Human Abh3 Structure and Key Residues for Oxidative Demethylation to Reverse DNA/RNA Damage.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		S81 L82 S83 G86 S88 D254
Binding residue
(residue number reindexed from 1)		S15 L16 S17 G20 S22 D180
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y93
Catalytic site (residue number reindexed from 1) Y27
Enzyme Commision number 1.14.11.33: DNA oxidative demethylase.
1.14.11.54: mRNA N(1)-methyladenine demethylase.
Gene Ontology
Molecular Function
GO:0051213 dioxygenase activity
Biological Process
GO:0006281 DNA repair
GO:0006307 DNA alkylation repair

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Molecular Function
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Biological Process
External links
PDB RCSB:2iuw, PDBe:2iuw, PDBj:2iuw
PDBsum2iuw
PubMed16858410
UniProtQ96Q83|ALKB3_HUMAN Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 (Gene Name=ALKBH3)

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