Structure of PDB 7fnc Chain B Binding Site BS01

Receptor Information
>7fnc 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 IDVZL
InChIInChI=1S/C12H15N3O/c1-9-4-3-7-15-8-11(14-12(9)15)5-6-13-10(2)16/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)
InChIKeyYAUPVPHLZDGKRJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cccn2c1nc(c2)CCNC(=O)C
ACDLabs 12.01
CACTVS 3.385		CC(=O)NCCc1cn2cccc(C)c2n1
FormulaC12 H15 N3 O
NameN-{2-[(4R)-8-methylimidazo[1,2-a]pyridin-2-yl]ethyl}acetamide
ChEMBLCHEMBL4540918
DrugBank
ZINC
PDB chain7fnc 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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PDB7fnc Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		T7 Y68 K88 I92
Binding residue
(residue number reindexed from 1)		T7 Y68 K88 I92
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fnc, PDBe:7fnc, PDBj:7fnc
PDBsum7fnc
PubMed36260741
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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