Structure of PDB 6h10 Chain A Binding Site BS03

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 416 [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)		R102 N106 Q111 T112 G207 E208 G286 F287
Binding residue
(residue number reindexed from 1)		R92 N96 Q101 T102 G197 E198 G276 F277
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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