Structure of PDB 3s57 Chain A Binding Site BS04

Receptor Information
>3s57 Chain A (length=204) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSWRHIRAEGLDSSYTVLFGKAEADEIFQELEKEVEYFTGALARVQVFGK
WHSVPRKQATYGDAGLTYTFSGLTLSPKPWIPVLERIRDHVSGVTGQTFN
FVLINRYKDGSDHICEHRDDERELAPGSPIASVSFGASRDFVFRHKDSRG
KSPSRRVAVVRLPLAHGSLLMMNHPTNTHWYHSLPVRKKVLAPRVNLTFR
KILL
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 chain3s57 Chain A Residue 259 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3s57 Duplex interrogation by a direct DNA repair protein in search of base damage
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y161 I168 H171 H236 R248 N250
Binding residue
(residue number reindexed from 1)		Y107 I114 H117 H182 R194 N196
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.33: DNA oxidative demethylase.
Gene Ontology

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Biological Process
External links
PDB RCSB:3s57, PDBe:3s57, PDBj:3s57
PDBsum3s57
PubMed22659876
UniProtQ6NS38|ALKB2_HUMAN DNA oxidative demethylase ALKBH2 (Gene Name=ALKBH2)

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