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Related entries of code: 1jjt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jjeRCSB PDB    PDBbind222aa, >1JJE_1|Chains... at 100%
2dooRCSB PDB    PDBbind228aa, >2DOO_1|Chains... at 100%
4c1fRCSB PDB    PDBbind228aa, >4C1F_1|Chains... at 100%
4c1gRCSB PDB    PDBbind228aa, >4C1G_1|Chains... at 100%
5ev8RCSB PDB    PDBbind230aa, >5EV8_1|Chains... *
5ewaRCSB PDB    PDBbind230aa, >5EWA_1|Chains... at 100%
5hh4RCSB PDB    PDBbind230aa, >5HH4_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1jjt
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemetallo-beta-lactamase imp-1
Ligand NameBDS
EC.Number E.C.3.5.2.6
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=9nM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v276 pp. 31913-8, 2001
Ligand Properties
Formula C20H18O8
Molecular Weight 386.352
Exact Mass 386.100
No. of atoms 46
No. of bonds 49
Polar Surface Area 111.52
LOGP Value 5.23      (Computed with XLOGP3)
2.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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): Q79MP6  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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