Structure of PDB 7foe Chain B Binding Site BS01

Receptor Information
>7foe 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 IDWCI
InChIInChI=1S/C11H9Cl2N3O/c12-9-3-2-8(6-10(9)13)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17)
InChIKeyOJNBQDXTZKXOOH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1ccc(NC(=O)Cn2cccn2)cc1Cl
ACDLabs 12.01O=C(Nc1ccc(Cl)c(Cl)c1)Cn1cccn1
OpenEye OEToolkits 2.0.7c1cnn(c1)CC(=O)Nc2ccc(c(c2)Cl)Cl
FormulaC11 H9 Cl2 N3 O
NameN-(3,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)acetamide
ChEMBL
DrugBank
ZINCZINC000008714338
PDB chain7foe 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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PDB7foe Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		T7 Y68 E83 K88 F89
Binding residue
(residue number reindexed from 1)		T7 Y68 E83 K88 F89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7foe, PDBe:7foe, PDBj:7foe
PDBsum7foe
PubMed36260741
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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