Structure of PDB 7fnn Chain B Binding Site BS01

Receptor Information

>7fnn 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

WC6

InChI

InChI=1S/C10H8FN3O/c11-9-3-1-2-8(4-9)10(15)5-14-7-12-6-13-14/h1-4,6-7H,5H2

InChIKey

NXZHGODCACTDHZ-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	O=C(Cn1cncn1)c1cccc(F)c1
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)F)C(=O)Cn2cncn2
CACTVS 3.385	Fc1cccc(c1)C(=O)Cn2cncn2

Formula

C10 H8 F N3 O

Name

1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

PDB chain

7fnn 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	7fnn Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution	1.65 Å
Binding residue (original residue number in PDB)	T7 Y68 E83 I92
Binding residue (residue number reindexed from 1)	T7 Y68 E83 I92
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

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

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