Structure of PDB 6etu Chain A Binding Site BS02

Receptor Information
>6etu Chain A (length=330) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQNPNCNIMIFHPTKEEFNDFDKYIAYMESQGAHRAGLAKIIPPKEWKAR
ETYDNISEILIATPLQQVASGRAGVFTQYHKKKKAMTVGEYRHLANSKKY
QTPPHQNFEDLERKYWKNRIYNSPIYGADISGSLFDENTKQWNLGHLGTI
QDLLEKECGVVIEGVNTPYLYFGMWKTTFAWHTEDMDLYSINYLHLGEPK
TWYVVPPEHGQRLERLARELFPGSSRGCGAFLRHKVALISPTVLKENGIP
FNRITQEAGEFMVTFPYGYHAGFNHGFNCAEAINFATPRWIDYGKMASQC
SCGEARVTFSMDAFVRILQPERYDLWKRGQ
Ligand information
Ligand IDBWZ
InChIInChI=1S/C8H8N6O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1
InChIKeyTVSYEZIXGSKLBM-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.385[NH3+]NC(=O)c1cccc(c1)c2n[nH]nn2
OpenEye OEToolkits 2.0.6c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2
FormulaC8 H9 N6 O
Name[[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
ChEMBL
DrugBank
ZINC
PDB chain6etu Chain A Residue 411 [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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PDB6etu Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Resolution1.33 Å
Binding residue
(original residue number in PDB)		Y181 F189 H192 E194 S200 N202 H280
Binding residue
(residue number reindexed from 1)		Y171 F179 H182 E184 S190 N192 H270
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.66: [histone H3]-trimethyl-L-lysine(9) demethylase.
External links
PDB RCSB:6etu, PDBe:6etu, PDBj:6etu
PDBsum6etu
PubMed31475772
UniProtQ6B0I6|KDM4D_HUMAN Lysine-specific demethylase 4D (Gene Name=KDM4D)

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