Structure of PDB 5eps Chain A Binding Site BS01

Receptor Information

>5eps Chain A (length=113) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EMQLTPFLILLRKTLEQLQEKDTGNIFSEPVPLSEVPDYLDHIKKPMDFF
TMKQNLEAYRYLNFDDFEEDFNLIVSNCLKYNAKDTIFYRAAVRLREQGG
AVLRQARRQAEKM

Ligand information

InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-5,10H,6H2,1H3

JFWAVAHCZRTHLM-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.4	CN1c2ccccc2NCC1=O
CACTVS 3.385	CN1C(=O)CNc2ccccc12

Formula

C9 H10 N2 O

Name

1-methyl-3,4-dihydroquinoxalin-2-one

ZINC000058436763

PDB chain

5eps Chain A Residue 801 [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	5eps Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
Resolution	1.47 Å
Binding residue (original residue number in PDB)	V657 P658 E661 V662 Y707 N708 F714
Binding residue (residue number reindexed from 1)	V31 P32 E35 V36 Y81 N82 F88
Annotation score	1
Binding affinity	MOAD: Kd=38uM PDBbind-CN: -logKd/Ki=4.42,Kd=38uM BindingDB: Kd=38000nM

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5eps, PDBe:5eps, PDBj:5eps
PDBsum	5eps
PubMed	27167503
UniProt	P55201\|BRPF1_HUMAN Peregrin (Gene Name=BRPF1)

[Back to BioLiP]