Structure of PDB 7fkg Chain B Binding Site BS01

Receptor Information
>7fkg 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 IDWOR
InChIInChI=1S/C11H18N2O3S/c1-8(2)13(4)17(15,16)12-10-7-9(3)5-6-11(10)14/h5-8,12,14H,1-4H3
InChIKeyNABNRHWXENQDQP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1)NS(=O)(=O)N(C)C(C)C)O
ACDLabs 12.01Oc1ccc(C)cc1NS(=O)(=O)N(C)C(C)C
CACTVS 3.385CC(C)N(C)[S](=O)(=O)Nc1cc(C)ccc1O
FormulaC11 H18 N2 O3 S
NameN'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide
ChEMBLCHEMBL4979073
DrugBank
ZINCZINC000042520483
PDB chain7fkg 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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PDB7fkg Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.51 Å
Binding residue
(original residue number in PDB)		T7 Y68 E83 I92
Binding residue
(residue number reindexed from 1)		T7 Y68 E83 I92
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fkg, PDBe:7fkg, PDBj:7fkg
PDBsum7fkg
PubMed36260741
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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