Structure of PDB 7fky Chain B Binding Site BS02

Receptor Information
>7fky 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 IDVKO
InChIInChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)8-14-11(15)13(6-7-13)12(16)17/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyZRJDEOZVQDFPRH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccccc1CNC(=O)C2(CC2)C(=O)O
ACDLabs 12.01O=C(O)C1(CC1)C(=O)NCc1ccccc1C
CACTVS 3.385Cc1ccccc1CNC(=O)C2(CC2)C(O)=O
FormulaC13 H15 N O3
Name1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000050291265
PDB chain7fky Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7fky Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		Y20 S21 F22
Binding residue
(residue number reindexed from 1)		Y20 S21 F22
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fky, PDBe:7fky, PDBj:7fky
PDBsum7fky
PubMed36260741
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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