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BioLiP

Structure of PDB 4hon Chain B Binding Site BS05

Receptor Information
>4hon Chain B (length=330) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNPNCNIMIFHPTKEEFNDFDKYIAYMESQGAHRAGLAKIIPPKEWKARE
TYDNISEILIATPLQQVASGRAGVFTQYHKKKKAMTVGEYRHLANSKKYQ
TPPHQNFEDLERKYWKNRIYNSPIYGADISGSLFDENTKQWNLGHLGTIQ
DLLEKECGVVIEGVNTPYLYFGMWKTTFAWHTEDMDLYSINYLHLGEPKT
WYVVPPEHGQRLERLARELFPGSSRGCGAFLRHKVALISPTVLKENGIPF
NRITQEAGEFMVTFPYGYHAGFNHGFNCAEAINFATPRWIDYGKMASQCS
CGEARVTFSMDAFVRILQPERYDLWKRGQD
Ligand information
Ligand IDPDO
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CO)CO
ACDLabs 11.02
CACTVS 3.352		OCCCO
FormulaC3 H8 O2
Name1,3-PROPANDIOL
ChEMBLCHEMBL379652
DrugBankDB02774
ZINCZINC000001529437
PDB chain4hon Chain B Residue 411 [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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PDB4hon Structural and Functional Analysis of JMJD2D Reveals Molecular Basis for Site-Specific Demethylation among JMJD2 Demethylases.
Resolution1.799 Å
Binding residue
(original residue number in PDB)		I69 I140
Binding residue
(residue number reindexed from 1)		I58 I129
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G174 Y181 H192 E194 H280 A292
Catalytic site (residue number reindexed from 1) G163 Y170 H181 E183 H269 A281
Enzyme Commision number 1.14.11.66: [histone H3]-trimethyl-L-lysine(9) demethylase.
External links
PDB RCSB:4hon, PDBe:4hon, PDBj:4hon
PDBsum4hon
PubMed23219879
UniProtQ6B0I6|KDM4D_HUMAN Lysine-specific demethylase 4D (Gene Name=KDM4D)

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