Structure of PDB 6f5r Chain A Binding Site BS02

Receptor Information

>6f5r Chain A (length=327) 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
SCGEARVTFSMDAFVRILQPERYDLWK

Ligand information

Ligand ID

CQZ

InChI

InChI=1S/C9H12N2O3/c12-5-1-3-10-8-6-7(9(13)14)2-4-11-8/h2,4,6,12H,1,3,5H2,(H,10,11)(H,13,14)

InChIKey

FWYOTGNTHMHGFK-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cnc(cc1C(=O)O)NCCCO
CACTVS 3.385	OCCCNc1cc(ccn1)C(O)=O

Formula

C9 H12 N2 O3

Name

2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid

PDB chain

6f5r Chain A Residue 415 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6f5r Crystal Structure of KDM4D with GF028 ligand
Resolution	1.607 Å
Binding residue (original residue number in PDB)	F189 H192 K210 H280
Binding residue (residue number reindexed from 1)	F179 H182 K200 H270
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.14.11.66: [histone H3]-trimethyl-L-lysine(9) demethylase.

External links

PDB	RCSB:6f5r, PDBe:6f5r, PDBj:6f5r
PDBsum	6f5r
PubMed
UniProt	Q6B0I6\|KDM4D_HUMAN Lysine-specific demethylase 4D (Gene Name=KDM4D)

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