Structure of PDB 4oct Chain A Binding Site BS02

Receptor Information
>4oct Chain A (length=209) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKEEEARKVKSGIRQMRLFSQDECAKIEARIDEVVSRAEKGLYNEHTVDR
APLRNKYFFGEGYTRGPGQERLYPPGDVDEIPEWVHQLVIQKLVEHRVIP
EGFVNSAVINDYQPGGCIVSHVDPIHIFERPIVSVSFFSDSALCFGCKFQ
FKPIRVSEPVLSLPVRRGSVTVLSGYAADEITHCIRPQDIKERRAVIILR
KTRLDAPRL
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 chain4oct 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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PDB4oct Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		N193 Y195 H204 D206 H266 I268 R277 V279 I281
Binding residue
(residue number reindexed from 1)		N110 Y112 H121 D123 H183 I185 R194 V196 I198
Annotation score5
Binding affinityMOAD: ic50=9uM
PDBbind-CN: -logKd/Ki=5.05,Kd=9uM
Enzymatic activity
Enzyme Commision number 1.14.11.53: mRNA N(6)-methyladenine demethylase.
Gene Ontology
Molecular Function
GO:0035515 oxidative RNA demethylase activity
Biological Process
GO:0006397 mRNA processing

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Molecular Function
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Biological Process
External links
PDB RCSB:4oct, PDBe:4oct, PDBj:4oct
PDBsum4oct
PubMed24778178
UniProtQ6P6C2|ALKB5_HUMAN RNA demethylase ALKBH5 (Gene Name=ALKBH5)

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