Browse entries in the PDBbind-CN Database

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Related entries of code: 6rtn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1e3uRCSB PDB    PDBbind246aa, >1E3U_2|Chain... at 99%
1h8yRCSB PDB    PDBbind247aa, >1H8Y_1|Chains... at 96%
2wgiRCSB PDB    PDBbind248aa, >2WGI_1|Chains... *
3lceRCSB PDB    PDBbind246aa, >3LCE_1|Chains... at 99%
4wz5RCSB PDB    PDBbind248aa, >4WZ5_2|Chains... at 99%
5fq9RCSB PDB    PDBbind248aa, >5FQ9_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 ID6rtn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactamase OXA-10
Ligand NameKJK
EC.Number E.C.3.5.2.6
Resolution 2.17(Å)
Affinity (Kd/Ki/IC50)IC50=0.234uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 8544-8556
Ligand Properties
Formula C19H31BN3O5
Molecular Weight 392.278
Exact Mass 392.236
No. of atoms 59
No. of bonds 61
Polar Surface Area 129.11
LOGP Value -0.65      (Computed with XLOGP3)
-0.88      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
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): P14489  
Entrez Gene IDNCBI Entrez Gene ID: 56327504  60671677  
ASDInformation of known allosteric effects of PDB entries
 
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