Structure of PDB 3kva Chain A Binding Site BS03

Receptor Information
>3kva Chain A (length=366) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVQAGTRTFIKELRSRVFPSADEIIIKMHGSQLTQRYLEKHGFDVPIMVP
KLDDLGLRLPSPTFSVMDVERYVGGDKVIDVIDVARQADSKMTLHNYVKY
FMNPNRPKVLNVISLEFSDTKMSELVEVPDIAKKLSWVENYWPDDSVFPK
PFVQKYCLMGVQDSYTDFHIDFGGTSVWYHVLWGEKIFYLIKPTDENLAR
YESWSSSVTQSEVFFGDKVDKCYKCVVKQGHTLFVPTGWIHAVLTSQDCM
AFGGNFLHNLNIGMQLRCYEMEKRLKTPDLFKFPFFEAICWFVAKNLLET
LKELREDGFQPQTYLVQGVKALHTALKLWMKKELVSEHAFEIPDNVRPGH
LIKELSKVIRAIEEEN
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 chain3kva Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3kva Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Resolution2.79 Å
Binding residue
(original residue number in PDB)		I226 T279 H282 D284 Y292 K299 H354 V356
Binding residue
(residue number reindexed from 1)		I113 T166 H169 D171 Y179 K186 H241 V243
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.65: [histone H3]-dimethyl-L-lysine(9) demethylase.
External links
PDB RCSB:3kva, PDBe:3kva, PDBj:3kva
PDBsum3kva
PubMed20023638
UniProtQ6ZMT4|KDM7A_HUMAN Lysine-specific demethylase 7A (Gene Name=KDM7A)

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