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Related entries of code: 1ugp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ob0RCSB PDB    PDBbind233aa, >4OB0_2|Chain... *
4ob1RCSB PDB    PDBbind233aa, >4OB1_2|Chain... at 100%
4ob2RCSB PDB    PDBbind233aa, >4OB2_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3umqRCSB PDB    PDBbindBUA

Entry Information
PDB ID1ugp
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namenitrile hydratase alpha subunit
Ligand NameBUA
EC.Number E.C.4.2.1.84
Resolution 1.63(Å)
Affinity (Kd/Ki/IC50)Ki=1.3mM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Eur.J.Biochem. v271 pp. 429-38, 2004
Ligand Properties
Formula C4H8O2
Molecular Weight 88.105
Exact Mass 88.052
No. of atoms 14
No. of bonds 13
Polar Surface Area 37.3
LOGP Value 2.06      (Computed with XLOGP3)
0.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
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): Q7SID2  Q7SID3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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