Browse entries in the PDBbind-CN Database

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Related entries of code: 6b1j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5eecRCSB PDB    PDBbind269aa, >5EEC_1|Chains... at 100%
6b1fRCSB PDB    PDBbind268aa, >6B1F_1|Chains... at 98%
6b1hRCSB PDB    PDBbind268aa, >6B1H_1|Chains... at 98%
6b1wRCSB PDB    PDBbind268aa, >6B1W_1|Chains... at 98%
6b1xRCSB PDB    PDBbind268aa, >6B1X_1|Chains... at 98%
6b1yRCSB PDB    PDBbind268aa, >6B1Y_1|Chains... at 98%
6qwbRCSB PDB    PDBbind290aa, >6QWB_1|Chain... at 99%
6qwaRCSB PDB    PDBbind290aa, >6QWA_1|Chain... at 99%
6qw9RCSB PDB    PDBbind290aa, >6QW9_1|Chain... at 100%
6mnpRCSB PDB    PDBbind290aa, >6MNP_1|Chain... at 100%
6meyRCSB PDB    PDBbind290aa, >6MEY_1|Chain... at 100%
6m7iRCSB PDB    PDBbind290aa, >6M7I_1|Chain... at 100%
6jn4RCSB PDB    PDBbind265aa, >6JN4_1|Chains... at 99%
6jn5RCSB PDB    PDBbind264aa, >6JN5_1|Chains... at 100%
6jn3RCSB PDB    PDBbind265aa, >6JN3_1|Chains... at 99%
6j8qRCSB PDB    PDBbind265aa, >6J8Q_1|Chains... at 99%
6d19RCSB PDB    PDBbind290aa, >6D19_1|Chain... at 100%
6d18RCSB PDB    PDBbind290aa, >6D18_1|Chain... at 100%
6d17RCSB PDB    PDBbind290aa, >6D17_1|Chain... at 100%
6d16RCSB PDB    PDBbind290aa, >6D16_1|Chain... at 100%
6d15RCSB PDB    PDBbind290aa, >6D15_1|Chain... *
5mgiRCSB PDB    PDBbind264aa, >5MGI_1|Chain... at 100%
5ll7RCSB PDB    PDBbind268aa, >5LL7_1|Chain... at 100%
6mllRCSB PDB    PDBbind290aa, >6MLL_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6b1wRCSB PDB    PDBbindC8V
Entry Information
PDB ID6b1j
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameKlebsiella pneumoniae carbapenemase-2
Ligand NameC8V
EC.Number E.C.-.-.-.-
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=43nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 4067-4086
Ligand Properties
Formula C13H27N5O7S
Molecular Weight 397.448
Exact Mass 397.163
No. of atoms 53
No. of bonds 54
Polar Surface Area 206.95
LOGP Value -4.29      (Computed with XLOGP3)
-0.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 12
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): Q9F663  
Entrez Gene IDNCBI Entrez Gene ID: 56982589  
ASDInformation of known allosteric effects of PDB entries
 
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