Browse entries in the PDBbind-CN Database

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Related entries of code: 3d4f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ongRCSB PDB    PDBbind265aa, >1ONG_1|Chain... at 100%
3mkeRCSB PDB    PDBbind265aa, >3MKE_1|Chain... at 100%
3mkfRCSB PDB    PDBbind265aa, >3MKF_1|Chain... at 100%
3mxrRCSB PDB    PDBbind265aa, >3MXR_1|Chain... at 100%
3mxsRCSB PDB    PDBbind265aa, >3MXS_1|Chain... at 100%
3oppRCSB PDB    PDBbind286aa, >3OPP_1|Chain... at 99%
3oprRCSB PDB    PDBbind286aa, >3OPR_1|Chain... at 99%
4fcfRCSB PDB    PDBbind265aa, >4FCF_1|Chain... at 99%
4gd6RCSB PDB    PDBbind286aa, >4GD6_1|Chain... at 100%
4mbfRCSB PDB    PDBbind265aa, >4MBF_1|Chain... at 100%
4r3bRCSB PDB    PDBbind265aa, >4R3B_1|Chain... at 100%
4zamRCSB PDB    PDBbind265aa, >4ZAM_1|Chain... at 100%
5ee8RCSB PDB    PDBbind265aa, >5EE8_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3d4f
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactamase SHV-1
Ligand NameLN1
EC.Number E.C.3.5.2.6
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)Kd=19nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Biol.Chem. Vol. 284: pp. 945-953
Ligand Properties
Formula C22H24N2O9S
Molecular Weight 492.499
Exact Mass 492.120
No. of atoms 58
No. of bonds 60
Polar Surface Area 216.83
LOGP Value 3.89      (Computed with XLOGP3)
2.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 11
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): P0AD64  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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