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Related entries of code: 1vea
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
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1vea
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehut operon positive regulatory protein
Ligand NameHBN
EC.Number E.C.-.-.-.-
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Kd=30nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Structure v12 pp. 1269-80, 2004
Ligand Properties
Formula C16H17N4O
Molecular Weight 281.332
Exact Mass 281.140
No. of atoms 38
No. of bonds 40
Polar Surface Area 85.42
LOGP Value 1.60      (Computed with XLOGP3)
1.43      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): P10943  
Entrez Gene IDNCBI Entrez Gene ID: 937529  
ASDInformation of known allosteric effects of PDB entries

 
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