Browse entries in the PDBbind-CN Database

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Related entries of code: 4u0m
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4u03RCSB PDB    PDBbind427aa, >4U03_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4u03RCSB PDB    PDBbindTLL
4u0nRCSB PDB    PDBbindTLL
Entry Information
PDB ID4u0m
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCyclic AMP-GMP synthase DncV (D193N mutant)
Ligand NameTLL
EC.Number E.C.2.7.7.86
Resolution 2.3(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 C25H36N8O9
Molecular Weight 592.602
Exact Mass 592.261
No. of atoms 78
No. of bonds 80
Polar Surface Area 268.81
LOGP Value -0.48      (Computed with XLOGP3)
-2.70      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
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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