Structure of PDB 7fnm Chain B Binding Site BS03

Receptor Information

>7fnm 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 ID

VXB

InChI

InChI=1S/C9H11BrN2O2/c1-14-3-2-12-9(13)7-4-8(10)6-11-5-7/h4-6H,2-3H2,1H3,(H,12,13)

InChIKey

QOVBXIIYBOEIMU-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	O=C(NCCOC)c1cncc(Br)c1
OpenEye OEToolkits 2.0.7	COCCNC(=O)c1cc(cnc1)Br
CACTVS 3.385	COCCNC(=O)c1cncc(Br)c1

Formula

C9 H11 Br N2 O2

Name

5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide

PDB chain

7fnm Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7fnm Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution	1.72 Å
Binding residue (original residue number in PDB)	G235 N236 Y237 I282
Binding residue (residue number reindexed from 1)	G218 N219 Y220 I265
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7fnm, PDBe:7fnm, PDBj:7fnm
PDBsum	7fnm
PubMed	36260741
UniProt	P32357\|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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