Structure of PDB 7fkd Chain B Binding Site BS01

Receptor Information
>7fkd 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 IDWAE
InChIInChI=1S/C9H13NO2S/c1-7-5-4-6-8(2)9(7)10-13(3,11)12/h4-6,10H,1-3H3
InChIKeyCLMPXVSJALKBTQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cccc(c1NS(=O)(=O)C)C
ACDLabs 12.01O=S(C)(=O)Nc1c(C)cccc1C
CACTVS 3.385Cc1cccc(C)c1N[S](C)(=O)=O
FormulaC9 H13 N O2 S
NameN-(2,6-dimethylphenyl)methanesulfonamide
ChEMBL
DrugBank
ZINCZINC000000053873
PDB chain7fkd Chain B Residue 401 [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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PDB7fkd Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		P5 T7 Y68 E83 I92
Binding residue
(residue number reindexed from 1)		P5 T7 Y68 E83 I92
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fkd, PDBe:7fkd, PDBj:7fkd
PDBsum7fkd
PubMed36260741
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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