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Related entries of code: 5w12
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4u0xRCSB PDB    PDBbind360aa, >4U0X_1|Chains... at 100%
5w13RCSB PDB    PDBbind361aa, >5W13_1|Chains... at 100%
5w14RCSB PDB    PDBbind361aa, >5W14_1|Chains... at 100%
5wacRCSB PDB    PDBbind361aa, >5WAC_1|Chains... at 100%
5wadRCSB PDB    PDBbind361aa, >5WAD_1|Chains... at 100%
5waeRCSB PDB    PDBbind361aa, >5WAE_1|Chains... at 100%
5wafRCSB PDB    PDBbind361aa, >5WAF_1|Chains... at 100%
5wagRCSB PDB    PDBbind361aa, >5WAG_1|Chains... 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 ID5w12
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAcinetobacter-derived cephalosporinases
Ligand Name9TG
EC.Number E.C.-.-.-.-
Resolution 1.88(Å)
Affinity (Kd/Ki/IC50)Ki=53nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Infect Dis Vol. : pp. 337-348
Ligand Properties
Formula C15H16BNO5S
Molecular Weight 333.167
Exact Mass 333.084
No. of atoms 39
No. of bonds 40
Polar Surface Area 135.1
LOGP Value 2.42      (Computed with XLOGP3)
1.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
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): Q6DRA1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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