Structure of PDB 6f5t Chain A Binding Site BS02

Receptor Information
>6f5t 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 IDCQK
InChIInChI=1S/C7H6N6O2/c14-7(11-15)5-3-4(1-2-8-5)6-9-12-13-10-6/h1-3,15H,(H,11,14)(H,9,10,12,13)
InChIKeyICLVJVGNXROVLL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385ONC(=O)c1cc(ccn1)c2n[nH]nn2
OpenEye OEToolkits 2.0.6c1cnc(cc1c2n[nH]nn2)C(=O)NO
FormulaC7 H6 N6 O2
Name~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain6f5t Chain A Residue 407 [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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PDB6f5t Crystal Structure of KDM4D with tetrazole ligand
Resolution1.58 Å
Binding residue
(original residue number in PDB)		Y136 Y181 F189 H192 E194 W212 K245 H280
Binding residue
(residue number reindexed from 1)		Y126 Y171 F179 H182 E184 W202 K235 H270
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.66: [histone H3]-trimethyl-L-lysine(9) demethylase.
External links
PDB RCSB:6f5t, PDBe:6f5t, PDBj:6f5t
PDBsum6f5t
PubMed
UniProtQ6B0I6|KDM4D_HUMAN Lysine-specific demethylase 4D (Gene Name=KDM4D)

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