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Related entries of code: 4de1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ylyRCSB PDB    PDBbind263aa, >1YLY_1|Chains... *
1ym1RCSB PDB    PDBbind263aa, >1YM1_1|Chains... at 100%
1ymsRCSB PDB    PDBbind263aa, >1YMS_1|Chains... at 100%
1ymxRCSB PDB    PDBbind263aa, >1YMX_1|Chains... at 100%
3g2yRCSB PDB    PDBbind263aa, >3G2Y_1|Chains... at 100%
3g2zRCSB PDB    PDBbind263aa, >3G2Z_1|Chains... at 100%
3g30RCSB PDB    PDBbind263aa, >3G30_1|Chain... at 100%
3g31RCSB PDB    PDBbind263aa, >3G31_1|Chains... at 100%
3g32RCSB PDB    PDBbind263aa, >3G32_1|Chains... at 100%
3g34RCSB PDB    PDBbind263aa, >3G34_1|Chains... at 100%
3g35RCSB PDB    PDBbind263aa, >3G35_1|Chains... at 100%
4ddsRCSB PDB    PDBbind263aa, >4DDS_1|Chains... at 99%
4ddyRCSB PDB    PDBbind263aa, >4DDY_1|Chains... at 99%
4de0RCSB PDB    PDBbind263aa, >4DE0_1|Chains... at 100%
4de2RCSB PDB    PDBbind263aa, >4DE2_1|Chains... at 99%
4de3RCSB PDB    PDBbind263aa, >4DE3_1|Chains... at 99%
4lenRCSB PDB    PDBbind263aa, >4LEN_1|Chains... at 100%
5ujoRCSB PDB    PDBbind263aa, >5UJO_1|Chains... at 99%
6bt6RCSB PDB    PDBbind263aa, >6BT6_1|Chains... at 99%
6bu3RCSB PDB    PDBbind262aa, >6BU3_1|Chains... at 98%
6miaRCSB PDB    PDBbind263aa, >6MIA_1|Chains... at 99%
6md8RCSB PDB    PDBbind263aa, >6MD8_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 ID4de1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBeta-lactamase
Ligand Name0J6
EC.Number E.C.3.5.2.6
Resolution 1.26(Å)
Affinity (Kd/Ki/IC50)Ki=1.1uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 2163-2172
Ligand Properties
Formula C15H11N7O
Molecular Weight 305.294
Exact Mass 305.103
No. of atoms 34
No. of bonds 37
Polar Surface Area 112.24
LOGP Value 1.68      (Computed with XLOGP3)
2.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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): Q9L5C8  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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