Structure of PDB 3k3o Chain A Binding Site BS01

Receptor Information
>3k3o Chain A (length=350) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRSRTFDSSDEVILKPTGNQLTVEFLEENSFSVPILVLKKDGLGMTLPSP
SFTVRDVEHYVGSKEIDVIDVTRQADCKMKLGDFVKYYYSGKREKVLNVI
SLEFSDTRLSNLVETPKIVRKLSWVENLWPEECVFERPNVQKYCLMSVRD
SYTDFHIDFGGTSVWYHVLKGEKIFYLIRPTNANLTLFECWSSSSNQNEM
FFGDQVDKCYKCSVKQGQTLFIPTGWIHAVLTPVDCLAFGGNFLHSLNIE
MQLKAYEIEKRLSFRFPNFETICWYVGKHILDIFRGLRENRRHPASYLVH
GGKALNLAFRAWTRKEALPDHEDEIPETVRTVQLIKDLAREIRLVEDIFQ
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 chain3k3o Chain A Residue 456 [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]
PDB3k3o Structural insights into a novel histone demethylase PHF8
Resolution2.1 Å
Binding residue
(original residue number in PDB)		I191 T244 H247 D249 Y257 K264 H319 V321
Binding residue
(residue number reindexed from 1)		I100 T153 H156 D158 Y166 K173 H228 V230
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.27: [histone H3]-dimethyl-L-lysine(36) demethylase.
1.14.11.65: [histone H3]-dimethyl-L-lysine(9) demethylase.
External links
PDB RCSB:3k3o, PDBe:3k3o, PDBj:3k3o
PDBsum3k3o
PubMed20101266
UniProtQ9UPP1|PHF8_HUMAN Histone lysine demethylase PHF8 (Gene Name=PHF8)

[Back to BioLiP]