Structure of PDB 2yu1 Chain A Binding Site BS02

Receptor Information
>2yu1 Chain A (length=386) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTFDLEEKLHTNKYNANFVTFMEGKDFNVEYIQRGGLRDPLIFKNSDGLG
IKMPDPDFTVNDVKMCVGSRRMVDVMDVNTQKGIEMTMAQWTRYYETPEE
EREKLYNVISLEFSHTRLENMVQRPSTVDFIDWVDNMWPRHLKEMQYPKV
QKYCLMSVRGCYTDFHVDFGGTSVWYHIHQGGKVFWLIPPTAHNLELYEN
WLLSGSQGDIFLGDRVSDCQRIELKQGYTFVIPSGWIHAVYTPTDTLVFG
GNFLHSFNIPMQLKIYNIEDRTRVPNKFRYPFYYEMCWYVLERYVYCITN
RSHLTKEFQKESLSMDLEQVHLTHFELEGLRCLVDKLESLPLHKKCVPTG
IEDEDALIADVKILLEELANSDPKLALTGVPIVQWP
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 chain2yu1 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

[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]
PDB2yu1 Structural basis for histone demethylation by JHDM1
Resolution2.7 Å
Binding residue
(original residue number in PDB)		I144 T209 H212 D214 Y222 K229 H284 V286
Binding residue
(residue number reindexed from 1)		I109 T163 H166 D168 Y176 K183 H238 V240
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.27: [histone H3]-dimethyl-L-lysine(36) demethylase.
External links
PDB RCSB:2yu1, PDBe:2yu1, PDBj:2yu1
PDBsum2yu1
PubMed
UniProtQ9Y2K7|KDM2A_HUMAN Lysine-specific demethylase 2A (Gene Name=KDM2A)

[Back to BioLiP]