Browse entries in the PDBbind-CN Database

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Related entries of code: 2doo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jjeRCSB PDB    PDBbind222aa, >1JJE_1|Chains... at 100%
1jjtRCSB PDB    PDBbind228aa, >1JJT_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 ID2doo
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBETA-LACTAMASE IMP-1
Ligand NameC4H
EC.Number E.C.3.5.2.6
Resolution 2.43(Å)
Affinity (Kd/Ki/IC50)Kd=67nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference ChemMedChem. 2006, 1,969-972.
Ligand Properties
Formula C19H27N3O3S2
Molecular Weight 409.566
Exact Mass 409.149
No. of atoms 54
No. of bonds 55
Polar Surface Area 125.69
LOGP Value 2.51      (Computed with XLOGP3)
4.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
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): P52699  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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