Structure of PDB 5qy7 Chain B Binding Site BS01

Receptor Information
>5qy7 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 IDUSJ
InChIInChI=1S/C9H11NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8-9,11-12H,1H3/t8-,9-/m0/s1
InChIKeyBYRKHPSEAHMOOE-IUCAKERBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1[C@H](c2ccccc2[C@@H]1O)O
ACDLabs 12.01c1cc2c(cc1)C(N(C2O)C)O
OpenEye OEToolkits 2.0.7CN1C(c2ccccc2C1O)O
CACTVS 3.385CN1[CH](O)c2ccccc2[CH]1O
CACTVS 3.385CN1[C@@H](O)c2ccccc2[C@@H]1O
FormulaC9 H11 N O2
Name(1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol
ChEMBL
DrugBank
ZINC
PDB chain5qy7 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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PDB5qy7 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Resolution1.67 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:5qy7, PDBe:5qy7, PDBj:5qy7
PDBsum5qy7
PubMed32413289
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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