Structure of PDB 7fk5 Chain B Binding Site BS02

Receptor Information

>7fk5 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

V3F

InChI

InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1

InChIKey

JNGWGQUYLVSFND-JTQLQIEISA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1(C(=O)NC(=O)N1)c2ccccc2
OpenEye OEToolkits 2.0.7	C[C@@]1(C(=O)NC(=O)N1)c2ccccc2
CACTVS 3.385	C[C]1(NC(=O)NC1=O)c2ccccc2
CACTVS 3.385	C[C@]1(NC(=O)NC1=O)c2ccccc2
ACDLabs 12.01	CC1(NC(=O)NC1=O)c1ccccc1

Formula

C10 H10 N2 O2

Name

(5S)-5-methyl-5-phenylimidazolidine-2,4-dione

PDB chain

7fk5 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	7fk5 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution	1.53 Å
Binding residue (original residue number in PDB)	G235 Y237 S240 I282
Binding residue (residue number reindexed from 1)	G218 Y220 S223 I265
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7fk5, PDBe:7fk5, PDBj:7fk5
PDBsum	7fk5
PubMed	36260741
UniProt	P32357\|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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