Structure of PDB 5phg Chain A Binding Site BS02

Receptor Information

>5phg Chain A (length=331) 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
SCGEARVTFSMDAFVRILQPERYDLWKRGQD

Ligand information

Ligand ID

8P4

InChI

InChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)

InChIKey

BRWKXKNZRVALNZ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	NC(=S)Nc1ccc(F)cc1
OpenEye OEToolkits 2.0.6	c1cc(ccc1NC(=S)N)F

Formula

C7 H7 F N2 S

Name

1-(4-fluorophenyl)thiourea

PDB chain

5phg Chain A Residue 416 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	5phg A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Resolution	1.398 Å
Binding residue (original residue number in PDB)	Y63 S67 R102 L206
Binding residue (residue number reindexed from 1)	Y53 S57 R92 L196
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	G174 Y181 H192 E194 H280 A292
Catalytic site (residue number reindexed from 1)	G164 Y171 H182 E184 H270 A282
Enzyme Commision number	1.14.11.66: [histone H3]-trimethyl-L-lysine(9) demethylase.

External links

PDB	RCSB:5phg, PDBe:5phg, PDBj:5phg
PDBsum	5phg
PubMed	28436492
UniProt	Q6B0I6\|KDM4D_HUMAN Lysine-specific demethylase 4D (Gene Name=KDM4D)

[Back to BioLiP]