Structure of PDB 7fl3 Chain B Binding Site BS01

Receptor Information

>7fl3 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

UZ8

InChI

InChI=1S/C11H14N2OS/c1-15-10-9(5-4-6-12-10)11(14)13-7-2-3-8-13/h4-6H,2-3,7-8H2,1H3

InChIKey

NVMKKNCLFDOZEG-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	O=C(c1cccnc1SC)N1CCCC1
OpenEye OEToolkits 2.0.7	CSc1c(cccn1)C(=O)N2CCCC2
CACTVS 3.385	CSc1ncccc1C(=O)N2CCCC2

Formula

C11 H14 N2 O S

Name

[2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone

ChEMBL

DrugBank

ZINC

PDB chain

7fl3 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	7fl3 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution	1.51 Å
Binding residue (original residue number in PDB)	F22 P106
Binding residue (residue number reindexed from 1)	F22 P106
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7fl3, PDBe:7fl3, PDBj:7fl3
PDBsum	7fl3
PubMed	36260741
UniProt	P32357\|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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