Structure of PDB 6h10 Chain A Binding Site BS02

Receptor Information
>6h10 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 IDFJ8
InChIInChI=1S/C11H12N6O/c1-8-2-4-9(5-3-8)7-12-15-11(18)6-10-13-16-17-14-10/h2-5,7H,6H2,1H3,(H,15,18)(H,13,14,16,17)/b12-7+
InChIKeyCVRGHXWTBXFGAR-KPKJPENVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		Cc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2
CACTVS 3.385
OpenEye OEToolkits 2.0.6		Cc1ccc(cc1)/C=N/NC(=O)Cc2n[nH]nn2
FormulaC11 H12 N6 O
Name~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide
ChEMBL
DrugBank
ZINC
PDB chain6h10 Chain A Residue 415 [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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PDB6h10 Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073
Resolution1.104 Å
Binding residue
(original residue number in PDB)		Y136 F189 H192 E194 S200 N202 H280
Binding residue
(residue number reindexed from 1)		Y126 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:6h10, PDBe:6h10, PDBj:6h10
PDBsum6h10
PubMed
UniProtQ6B0I6|KDM4D_HUMAN Lysine-specific demethylase 4D (Gene Name=KDM4D)

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