Structure of PDB 2iuw Chain A Binding Site BS04

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 IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain2iuw Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		X177 N179 Y181 H191 H257 V259 R269 N271 R275
Binding residue
(residue number reindexed from 1)		X111 N113 Y115 H125 H183 V185 R195 N197 R201
Annotation score5
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

View graph for
Molecular Function
View graph for
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)

[Back to BioLiP]