Browse entries in the PDBbind-CN Database

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Related entries of code: 4c1f
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%
2dooRCSB PDB    PDBbind228aa, >2DOO_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
1j37RCSB PDB    PDBbindX8Z
2x8zRCSB PDB    PDBbindX8Z
4c1dRCSB PDB    PDBbindX8Z
4c1hRCSB PDB    PDBbindX8Z
4exsRCSB PDB    PDBbindX8Z
4pqaRCSB PDB    PDBbindX8Z
Entry Information
PDB ID4c1f
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemetallo-beta-lactamase IMP-1
Ligand NameX8Z
EC.Number E.C.3.5.2.6
Resolution 2.01(Å)
Affinity (Kd/Ki/IC50)IC50=23.3uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Antimicrob.Agents Chemother. Vol. 60: pp. 142-150
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): P52699  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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