Browse entries in the PDBbind-CN Database

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Related entries of code: 4kqo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4kqqRCSB PDB    PDBbind564aa, >4KQQ_1|Chains... at 100%
4kqrRCSB PDB    PDBbind564aa, >4KQR_1|Chains... at 100%
4l0lRCSB PDB    PDBbind537aa, >4L0L_1|Chain... at 98%
4oolRCSB PDB    PDBbind538aa, >4OOL_1|Chain... at 98%
6un1RCSB PDB    PDBbind533aa, >6UN1_1|Chain... at 99%
6un3RCSB PDB    PDBbind533aa, >6UN3_1|Chain... 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 ID4kqo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePenicillin-binding protein 3
Ligand NameJPP
EC.Number E.C.-.-.-.-
Resolution 2.31(Å)
Affinity (Kd/Ki/IC50)IC50=166nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Acs Chem.Biol. Vol. 8: pp. 2112-2116
Ligand Properties
Formula C23H30N5O7S
Molecular Weight 520.579
Exact Mass 520.187
No. of atoms 66
No. of bonds 68
Polar Surface Area 195.1
LOGP Value -0.47      (Computed with XLOGP3)
0.91      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 12
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): G3XD46  
Entrez Gene IDNCBI Entrez Gene ID: 881247  
ASDInformation of known allosteric effects of PDB entries

 
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