Structure of PDB 7fp4 Chain B Binding Site BS01

Receptor Information

>7fp4 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

WDN

InChI

InChI=1S/C9H11NO3S/c1-10(5-8(11)13-2)9(12)7-3-4-14-6-7/h3-4,6H,5H2,1-2H3

InChIKey

DGJIUWOYENJXFN-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	COC(=O)CN(C)C(=O)c1cscc1
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CN(CC(=O)OC)C(=O)c1ccsc1

Formula

C9 H11 N O3 S

Name

methyl N-methyl-N-(thiophene-3-carbonyl)glycinate

PDB chain

7fp4 Chain B Residue 401 [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	7fp4 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution	1.45 Å
Binding residue (original residue number in PDB)	P5 T7 Y68 I92
Binding residue (residue number reindexed from 1)	P5 T7 Y68 I92
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7fp4, PDBe:7fp4, PDBj:7fp4
PDBsum	7fp4
PubMed	36260741
UniProt	P32357\|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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