Browse entries in the PDBbind-CN Database

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Related entries of code: 1kr3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a7tRCSB PDB    PDBbind232aa, >1A7T_1|Chains... *
1a8tRCSB PDB    PDBbind232aa, >1A8T_1|Chains... at 100%
1hlkRCSB PDB    PDBbind227aa, >1HLK_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1hlkRCSB PDB    PDBbind113
Entry Information
PDB ID1kr3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebeta-lactamase type ii
Ligand Name113
EC.Number E.C.3.5.2.6
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=10uM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference ANTIMICROB.AGENTS CHEMOTHER. v46 pp. 1880-6, 2002
Ligand Properties
Formula C15H14O8
Molecular Weight 322.267
Exact Mass 322.069
No. of atoms 37
No. of bonds 39
Polar Surface Area 126.43
LOGP Value 2.12      (Computed with XLOGP3)
1.51      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 8
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): P25910  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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