Structure of PDB 7fov Chain B Binding Site BS01

Receptor Information

>7fov Chain B (length=300) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MNTVPFTSAPIEVTIGIDQYSFNVKENQPFHGIKDIPIGHVHVIHFQHAD
NSSMRYGYWFDCRMGNFYIQYDPKDGLYKMMEERDGAKFENIVHNFKERQ
MMVSYPKIDEDDTWYNLTEFVQMDKIRKIVRKDENQFSYVDSSMTTVQEN
ELSDPAHSLNYTVINFKSREAIRPGHEMEDFLDKSYYLNTVMLQGIFKNS
SNYFGELQFAFLNAMFFGNYGSSLQWHAMIELICSSATVPKHMLDKLDEI
LYYQIKTLPEQYSDILLNERVWNICLYSSFQKNSLHNTEKIMENKYPELL

Ligand information

Ligand ID

WCT

InChI

InChI=1S/C9H11F3N2O3/c1-5-4-6(17-14-5)8(16)13-3-2-7(15)9(10,11)12/h4,7,15H,2-3H2,1H3,(H,13,16)/t7-/m0/s1

InChIKey

UFYWGEDIOOTKBU-ZETCQYMHSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(on1)C(=O)NCCC(C(F)(F)F)O
OpenEye OEToolkits 2.0.7	Cc1cc(on1)C(=O)NCC[C@@H](C(F)(F)F)O
ACDLabs 12.01	O=C(NCCC(O)C(F)(F)F)c1cc(C)no1
CACTVS 3.385	Cc1cc(on1)C(=O)NCC[CH](O)C(F)(F)F
CACTVS 3.385	Cc1cc(on1)C(=O)NCC[C@H](O)C(F)(F)F

Formula

C9 H11 F3 N2 O3

Name

3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide

PDB chain

7fov Chain B Residue 501 [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	7fov Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution	1.48 Å
Binding residue (original residue number in PDB)	Q28 Q100 V103
Binding residue (residue number reindexed from 1)	Q28 Q100 V103
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7fov, PDBe:7fov, PDBj:7fov
PDBsum	7fov
PubMed	36260741
UniProt	P32357\|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

[Back to BioLiP]