Structure of PDB 7fpg Chain B Binding Site BS01

Receptor Information

>7fpg 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

VEL

InChI

InChI=1S/C8H8F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2

InChIKey

HSIDWXYUJAUALR-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1CO)OC(F)F
ACDLabs 12.01	FC(F)Oc1ccc(cc1)CO
CACTVS 3.385	OCc1ccc(OC(F)F)cc1

Formula

C8 H8 F2 O2

Name

[4-(difluoromethoxy)phenyl]methanol

PDB chain

7fpg 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	7fpg Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution	1.6 Å
Binding residue (original residue number in PDB)	P5 F6 T7 Y68 K88 F96
Binding residue (residue number reindexed from 1)	P5 F6 T7 Y68 K88 F96
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

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

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