Structure of PDB 7fm0 Chain B Binding Site BS01

Receptor Information
>7fm0 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 IDVRC
InChIInChI=1S/C7H8N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,6H,4,8H2
InChIKeyRIRRHVGTJTXLLP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=CC(=O)C(=CC1N(=O)=O)CN
ACDLabs 12.01O=N(=O)C1C=CC(=O)C(CN)=C1
CACTVS 3.385NCC1=C[C@H](C=CC1=O)[N](=O)=O
CACTVS 3.385NCC1=C[CH](C=CC1=O)[N](=O)=O
FormulaC7 H8 N2 O3
Name(4S)-2-(aminomethyl)-4-nitrocyclohexa-2,5-dien-1-one
ChEMBL
DrugBank
ZINC
PDB chain7fm0 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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PDB7fm0 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.61 Å
Binding residue
(original residue number in PDB)		P5 T7 Y68 E83 K88
Binding residue
(residue number reindexed from 1)		P5 T7 Y68 E83 K88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fm0, PDBe:7fm0, PDBj:7fm0
PDBsum7fm0
PubMed36260741
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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