Browse entries in the PDBbind-CN Database

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Related entries of code: 4u0n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4u03RCSB PDB    PDBbindTLL
4u0mRCSB PDB    PDBbindTLL

Entry Information
PDB ID4u0n
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCyclic AMP-GMP synthase DncV (deletion mutant D-loop)
Ligand NameTLL
EC.Number E.C.2.7.7.86
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=1.69uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Mol.Cell Vol. 55: pp. 931-937
Ligand Properties
Formula C25H35N8O9
Molecular Weight 591.594
Exact Mass 591.253
No. of atoms 77
No. of bonds 79
Polar Surface Area 269.65
LOGP Value 2.54      (Computed with XLOGP3)
-0.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 3
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q9KVG7  
Entrez Gene IDNCBI Entrez Gene ID: 57738919  
ASDInformation of known allosteric effects of PDB entries

 
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