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Related entries of code: 5wae
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4u0xRCSB PDB    PDBbind360aa, >4U0X_1|Chains... at 100%
5w12RCSB PDB    PDBbind361aa, >5W12_1|Chains... *
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%
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 ID5wae
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAcinetobacter-derived cephalosporinases
Ligand NameA1J
EC.Number E.C.-.-.-.-
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=160nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Infect Dis Vol. : pp. 325閳?36
Ligand Properties
Formula C9H14BNO9PS
Molecular Weight 354.059
Exact Mass 354.022
No. of atoms 36
No. of bonds 36
Polar Surface Area 195.59
LOGP Value -0.88      (Computed with XLOGP3)
0.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
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): Q6DRA1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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