Structure of PDB 7fp7 Chain B Binding Site BS01

Receptor Information

>7fp7 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

WDZ

InChI

InChI=1S/C9H14N4O2/c1-15-8(14)6-13-9(10-11-12-13)7-4-2-3-5-7/h7H,2-6H2,1H3

InChIKey

WCYQRJAOQBHETC-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	COC(=O)Cn1nnnc1C2CCCC2
OpenEye OEToolkits 2.0.7	COC(=O)Cn1c(nnn1)C2CCCC2
ACDLabs 12.01	COC(=O)Cn1nnnc1C1CCCC1

Formula

C9 H14 N4 O2

Name

methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate

PDB chain

7fp7 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	7fp7 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution	1.47 Å
Binding residue (original residue number in PDB)	T7 Y68 E83 K88 I92
Binding residue (residue number reindexed from 1)	T7 Y68 E83 K88 I92
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7fp7, PDBe:7fp7, PDBj:7fp7
PDBsum	7fp7
PubMed	36260741
UniProt	P32357\|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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