Structure of PDB 2wwu Chain A Binding Site BS02

Receptor Information

>2wwu Chain A (length=363) Species: 9606 (Homo sapiens)

VKTGSPTFVRELRSRTFDSSDEVILKPTGNQLTVEFLEENSFSVPILVLK
KDGLGMTLPSPSFTVRDVEHYVGSDKEIDVIDVTRQADCKMKLGDFVKYY
YSGKREKVLNVISLEFSDTRLSNLVETPKIVRKLSWVENLWPEECVFERP
NVQKYCLMSVRDSYTDFHIDFGGTSVWYHVLKGEKIFYLIRPTNANLTLF
ECWSSSSNQNEMFFGDQVDKCYKCSVKQGQTLFIPTGWIHAVLTPVDCLA
FGGNFLHSLNIEMQLKAYEIEKRLSTADLFRFPNFETICWYVGKHILDIF
RGLRENRRHPASYLVHGGKALNLAFRAWTRKEALPDHEDEIPETVRTVQL
IKDLAREIRLVED

Ligand information

• Ligand ID: BGC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
• InChIKey: WQZGKKKJIJFFOK-VFUOTHLCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-glucopyranose;
  beta-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL1614854
• DrugBank: DB02379
• ZINC: ZINC000003833800
• PDB chain: 2wwu Chain A Residue 1493

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2wwu Crystal structure of the PHF8 Jumonji domain, an Nepsilon-methyl lysine demethylase.
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): Y179 Y180 R184 D326
• Binding residue (residue number reindexed from 1): Y100 Y101 R105 D247
• Annotation score: 1

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:2wwu, PDBe:2wwu, PDBj:2wwu
• PDBsum: 2wwu
• PubMed: 20067792
• UniProt: Q9UPP1|PHF8_HUMAN Histone lysine demethylase PHF8 (Gene Name=PHF8)