Structure of PDB 4qx7 Chain C Binding Site BS02
Receptor Information
>4qx7 Chain C (length=329) Species:
10090
(Mus musculus) [
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RTFDLEEKLQTNKYNANFVTFMEGKDFNVEYIQRGGLRDPLIFKNSDGLG
IKMPDPDFTVNDVKMCVGSRRMVDVMDVNTQKGIEMTMAQWTRYYETPEE
EREKLYNVISLEFSHTRLENMVQRPSTVDFIDWVDNMWPRHLKESQTEST
NAILEMQYPKVQKYCLMSVRGCYTDFHVDFGGTSVWYHIHQGGKVFWLIP
PTAHNLELYENWLLSGKQGDIFLGDRVSDCQRIELKQGYTFVIPSGWIHA
VYTPTDTLVFGGNFLHSFNIPMQLKIYSIEDRTRVPNKFRYPFYYEMCWY
VLERYVYCITNRSHLTKDFQKESLSMDME
Ligand information
Ligand ID
AKG
InChI
InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKey
KPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6
C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385
OC(=O)CCC(=O)C(O)=O
Formula
C5 H6 O5
Name
2-OXOGLUTARIC ACID
ChEMBL
CHEMBL1686
DrugBank
DB08845
ZINC
ZINC000001532519
PDB chain
4qx7 Chain C Residue 701 [
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Receptor-Ligand Complex Structure
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PDB
4qx7
A molecular threading mechanism underlies Jumonji lysine demethylase KDM2A regulation of methylated H3K36.
Resolution
2.34 Å
Binding residue
(original residue number in PDB)
I144 T209 H212 Y222 K229 H284 V286
Binding residue
(residue number reindexed from 1)
I109 T174 H177 Y187 K194 H249 V251
Annotation score
5
Enzymatic activity
Enzyme Commision number
1.14.11.27
: [histone H3]-dimethyl-L-lysine(36) demethylase.
External links
PDB
RCSB:4qx7
,
PDBe:4qx7
,
PDBj:4qx7
PDBsum
4qx7
PubMed
25128496
UniProt
P59997
|KDM2A_MOUSE Lysine-specific demethylase 2A (Gene Name=Kdm2a)
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