Structure of PDB 9fxp Chain A Binding Site BS01

Receptor Information

>9fxp Chain A (length=126) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAPFQQPVDAVKL
NLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKP
GDDIVLMAEALEKLFLQKINELPTEE

Ligand information

InChI=1S/C8H8N2O2/c1-11-5-3-2-4-6-7(5)8(9)10-12-6/h2-4H,1H3,(H2,9,10)

YFNIGSJHKGKXEQ-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.4	COc1cccc2c1c(no2)N
CACTVS 3.385	COc1cccc2onc(N)c12

Formula

C8 H8 N2 O2

Name

4-methoxy-1,2-benzoxazol-3-amine

ZINC000000161909

PDB chain

9fxp Chain A Residue 201 [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]

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

PDB	9fxp Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.
Resolution	1.88 Å
Binding residue (original residue number in PDB)	P82 V87 L92 N140 I146
Binding residue (residue number reindexed from 1)	P40 V45 L50 N98 I104
Annotation score	1

External links

PDB	RCSB:9fxp, PDBe:9fxp, PDBj:9fxp
PDBsum	9fxp
PubMed	39069741
UniProt	O60885\|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

[Back to BioLiP]