Browse entries in the PDBbind-CN Database

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Related entries of code: 6qwa
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%
6b1jRCSB PDB    PDBbind268aa, >6B1J_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%
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
4nk3RCSB PDB    PDBbindMK7
6qwbRCSB PDB    PDBbindMK7
6qw9RCSB PDB    PDBbindMK7
6qw8RCSB PDB    PDBbindMK7
6qw7RCSB PDB    PDBbindMK7
Entry Information
PDB ID6qwa
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactamase KPC-3
Ligand NameMK7
EC.Number E.C.-.-.-.-
Resolution 1.06(Å)
Affinity (Kd/Ki/IC50)IC50=260nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Antimicrob.Agents Chemother. Vol. 63: pp. e00564-19
Ligand Properties
Formula C12H26N4O6S
Molecular Weight 354.423
Exact Mass 354.157
No. of atoms 49
No. of bonds 50
Polar Surface Area 177.85
LOGP Value -3.70      (Computed with XLOGP3)
-0.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 10
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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