Structure of PDB 7fke Chain B Binding Site BS02

Receptor Information

>7fke 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

WAH

InChI

InChI=1S/C9H12FNO2S/c1-2-11-14(12,13)7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3

InChIKey

XYQKYGZWSZZGOM-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	CCN[S](=O)(=O)Cc1ccc(F)cc1
OpenEye OEToolkits 2.0.7	CCNS(=O)(=O)Cc1ccc(cc1)F
ACDLabs 12.01	Fc1ccc(CS(=O)(=O)NCC)cc1

Formula

C9 H12 F N O2 S

Name

N-ethyl-1-(4-fluorophenyl)methanesulfonamide

PDB chain

7fke Chain B Residue 402 [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	7fke 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)	K125 N219 G222 E223
Binding residue (residue number reindexed from 1)	K125 N202 G205 E206
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

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

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