Structure of PDB 7fko Chain B Binding Site BS01

Receptor Information

>7fko 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

WBF

InChI

InChI=1S/C8H9FN2OS/c9-6-3-1-2-4-7(6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)

InChIKey

RONLEONBAODMIS-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)F)SCC(=O)NN
ACDLabs 12.01 CACTVS 3.385	NNC(=O)CSc1ccccc1F

Formula

C8 H9 F N2 O S

Name

2-[(2-fluorophenyl)sulfanyl]acetohydrazide

PDB chain

7fko 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	7fko 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)	P5 Y68 E83 K88 F89 I92
Binding residue (residue number reindexed from 1)	P5 Y68 E83 K88 F89 I92
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

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

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