Structure of PDB 7fn7 Chain B Binding Site BS02

Receptor Information

>7fn7 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

WC2

InChI

InChI=1S/C8H12ClN3O/c1-13-4-2-3-10-8-5-7(9)11-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12)

InChIKey

UJCCDUAZDDMWBM-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	Clc1cc(NCCCOC)ncn1
OpenEye OEToolkits 2.0.7	COCCCNc1cc(ncn1)Cl
CACTVS 3.385	COCCCNc1cc(Cl)ncn1

Formula

C8 H12 Cl N3 O

Name

6-chloro-N-(3-methoxypropyl)pyrimidin-4-amine

PDB chain

7fn7 Chain B Residue 402 [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	7fn7 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution	1.51 Å
Binding residue (original residue number in PDB)	V121 Q122 K125 T179 N219 G222 E223 F226
Binding residue (residue number reindexed from 1)	V121 Q122 K125 T162 N202 G205 E206 F209
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7fn7, PDBe:7fn7, PDBj:7fn7
PDBsum	7fn7
PubMed	36260741
UniProt	P32357\|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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