Structure of PDB 7fmi Chain B Binding Site BS01

Receptor Information
>7fmi 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 IDWBQ
InChIInChI=1S/C13H17NO4/c1-18-11-7-3-2-6-10(11)14-12(15)8-4-5-9-13(16)17/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyHVJNOFLVHNEZLB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		COc1ccccc1NC(=O)CCCCC(=O)O
CACTVS 3.385COc1ccccc1NC(=O)CCCCC(O)=O
FormulaC13 H17 N O4
Name6-(2-methoxyanilino)-6-oxohexanoic acid
ChEMBL
DrugBank
ZINCZINC000035721247
PDB chain7fmi 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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PDB7fmi Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.34 Å
Binding residue
(original residue number in PDB)		Y20 F22 P106
Binding residue
(residue number reindexed from 1)		Y20 F22 P106
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fmi, PDBe:7fmi, PDBj:7fmi
PDBsum7fmi
PubMed36260741
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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