Browse entries in the PDBbind-CN Database

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Related entries of code: 4x68
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2wzxRCSB PDB    PDBbind371aa, >2WZX_1|Chain... at 100%
2wzzRCSB PDB    PDBbind371aa, >2WZZ_1|Chain... at 100%
6s1sRCSB PDB    PDBbind397aa, >6S1S_1|Chain... *
3s1yRCSB PDB    PDBbind371aa, >3S1Y_1|Chain... at 99%
3s22RCSB PDB    PDBbind371aa, >3S22_1|Chain... at 99%
4nk3RCSB PDB    PDBbind375aa, >4NK3_1|Chain... at 98%
4wyyRCSB PDB    PDBbind360aa, >4WYY_1|Chain... at 100%
4wz4RCSB PDB    PDBbind360aa, >4WZ4_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4x69RCSB PDB    PDBbindOP0
5x5gRCSB PDB    PDBbindOP0

Entry Information
PDB ID4x68
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactamase, AmpC
Ligand NameOP0
EC.Number E.C.3.5.2.6
Resolution 1.68(Å)
Affinity (Kd/Ki/IC50)IC50=271nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Antimicrob.Chemother. Vol. 70: pp. 2779-2786
Ligand Properties
Formula C9H22N4O7S
Molecular Weight 330.359
Exact Mass 330.121
No. of atoms 43
No. of bonds 43
Polar Surface Area 198.11
LOGP Value -4.72      (Computed with XLOGP3)
-2.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
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): P24735  
Entrez Gene IDNCBI Entrez Gene ID: 878149  
ASDInformation of known allosteric effects of PDB entries

 
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