Browse entries in the PDBbind-CN Database

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Related entries of code: 1jt1
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
1m2xRCSB PDB    PDBbindMCO
2fu8RCSB PDB    PDBbindMCO
4c1cRCSB PDB    PDBbindMCO
4c1eRCSB PDB    PDBbindMCO
4c1gRCSB PDB    PDBbindMCO
Entry Information
PDB ID1jt1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemetallo-beta-lactamase
Ligand NameMCO
EC.Number E.C.3.5.2.6
Resolution 1.78(Å)
Affinity (Kd/Ki/IC50)Ki=400uM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference J.MOL.BIOL. v325 pp. 651-60, 2003
Ligand Properties
Formula C9H15NO3S
Molecular Weight 217.285
Exact Mass 217.077
No. of atoms 29
No. of bonds 29
Polar Surface Area 96.41
LOGP Value 1.52      (Computed with XLOGP3)
0.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
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): Q9K578  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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