Structure of PDB 6f5q Chain A Binding Site BS02

Receptor Information
>6f5q 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 IDCTK
InChIInChI=1S/C9H13N3O4S/c1-17(15,16)12-5-4-11-8-6-7(9(13)14)2-3-10-8/h2-3,6,12H,4-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyALTOEXIXSCQSCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CS(=O)(=O)NCCNc1cc(ccn1)C(=O)O
CACTVS 3.385C[S](=O)(=O)NCCNc1cc(ccn1)C(O)=O
FormulaC9 H13 N3 O4 S
Name2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain6f5q 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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PDB6f5q Crystal Structure of KDM4D with GF026 ligand
Resolution1.43 Å
Binding residue
(original residue number in PDB)		Y136 F189 H192 K210 W212 H280
Binding residue
(residue number reindexed from 1)		Y126 F179 H182 K200 W202 H270
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.66: [histone H3]-trimethyl-L-lysine(9) demethylase.
External links
PDB RCSB:6f5q, PDBe:6f5q, PDBj:6f5q
PDBsum6f5q
PubMed
UniProtQ6B0I6|KDM4D_HUMAN Lysine-specific demethylase 4D (Gene Name=KDM4D)

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