Structure of PDB 6f5s Chain A Binding Site BS02

Receptor Information
>6f5s 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 IDCQT
InChIInChI=1S/C14H19N7O2/c22-14(16-3-1-5-21-6-8-23-9-7-21)12-10-11(2-4-15-12)13-17-19-20-18-13/h2,4,10H,1,3,5-9H2,(H,16,22)(H,17,18,19,20)
InChIKeyDTCDEBDILWHQER-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(NCCCN1CCOCC1)c2cc(ccn2)c3n[nH]nn3
OpenEye OEToolkits 2.0.6c1cnc(cc1c2n[nH]nn2)C(=O)NCCCN3CCOCC3
FormulaC14 H19 N7 O2
Name~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain6f5s Chain A Residue 412 [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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PDB6f5s Crystal Structure of KDM4D with tetrazole ligand GF049
Resolution1.48 Å
Binding residue
(original residue number in PDB)		D139 Y179 F189 H192 E194 K210 W212 K245 H280 T318
Binding residue
(residue number reindexed from 1)		D129 Y169 F179 H182 E184 K200 W202 K235 H270 T308
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.66: [histone H3]-trimethyl-L-lysine(9) demethylase.
External links
PDB RCSB:6f5s, PDBe:6f5s, PDBj:6f5s
PDBsum6f5s
PubMed
UniProtQ6B0I6|KDM4D_HUMAN Lysine-specific demethylase 4D (Gene Name=KDM4D)

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