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Related entries of code: 4l0l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4kqoRCSB PDB    PDBbind564aa, >4KQO_1|Chains... *
4kqqRCSB PDB    PDBbind564aa, >4KQQ_1|Chains... at 100%
4kqrRCSB PDB    PDBbind564aa, >4KQR_1|Chains... at 100%
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 ID4l0l
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePenicillin-binding protein 3
Ligand NamePFV
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=54nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 5541-5552
Ligand Properties
Formula C20H28N8O12S2
Molecular Weight 636.613
Exact Mass 636.127
No. of atoms 70
No. of bonds 71
Polar Surface Area 373.82
LOGP Value -0.97      (Computed with XLOGP3)
0.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 20
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): Q51504  
Entrez Gene IDNCBI Entrez Gene ID: 881247  
ASDInformation of known allosteric effects of PDB entries

 
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