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Related entries of code: 5k1f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4wbgRCSB PDB    PDBbind380aa, >4WBG_1|Chain... *
5k1dRCSB PDB    PDBbind366aa, >5K1D_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1g9sRCSB PDB    PDBbindIMP
1p17RCSB PDB    PDBbindIMP
1p19RCSB PDB    PDBbindIMP
1qk4RCSB PDB    PDBbindIMP
1yfzRCSB PDB    PDBbindIMP
1z6dRCSB PDB    PDBbindIMP
5kamRCSB PDB    PDBbindIMP
5km0RCSB PDB    PDBbindIMP
6mxdRCSB PDB    PDBbindIMP
6hgrRCSB PDB    PDBbindIMP
Entry Information
PDB ID5k1f
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBeta-lactamase
Ligand NameIMP
EC.Number E.C.-.-.-.-
Resolution 1.94(Å)
Affinity (Kd/Ki/IC50)Ki=16.2uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Antimicrob. Agents Chemother. Vol. 61: pp. -
Ligand Properties
Formula C10H14N4O8P
Molecular Weight 349.214
Exact Mass 349.055
No. of atoms 37
No. of bonds 39
Polar Surface Area 196.77
LOGP Value -3.96      (Computed with XLOGP3)
-2.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 12
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): Q99QC1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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