Structure of PDB 7fn7 Chain B Binding Site BS01

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 401 [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)	P5 F6 T7 Y68 E83 F89 I92
Binding residue (residue number reindexed from 1)	P5 F6 T7 Y68 E83 F89 I92
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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