Structure of PDB 7fp2 Chain B Binding Site BS01

Receptor Information
>7fp2 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 IDWDC
InChIInChI=1S/C10H15ClN2O/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyIYAVXYPOCJIRMT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(CCO)Cc1cc(N)ccc1Cl
OpenEye OEToolkits 2.0.7CN(CCO)Cc1cc(ccc1Cl)N
ACDLabs 12.01Clc1ccc(N)cc1CN(C)CCO
FormulaC10 H15 Cl N2 O
Name2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol
ChEMBL
DrugBank
ZINCZINC000037899149
PDB chain7fp2 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7fp2 Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		T7 Y68 E83 I92
Binding residue
(residue number reindexed from 1)		T7 Y68 E83 I92
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fp2, PDBe:7fp2, PDBj:7fp2
PDBsum7fp2
PubMed36260741
UniProtP32357|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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