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Related entries of code: 5hld
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5hl9RCSB PDB    PDBbind747aa, >5HL9_1|Chain... *
5hlbRCSB PDB    PDBbind747aa, >5HLB_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5hld
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePenicillin-binding protein 1B, E. coli PBP1b
Ligand Name63V
EC.Number E.C.2.4.1.129
Resolution 2.31(Å)
Affinity (Kd/Ki/IC50)IC50=22uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J. Biol. Chem. Vol. : pp.1-25
Ligand Properties
Formula C14H19N2O4S2
Molecular Weight 343.442
Exact Mass 343.079
No. of atoms 41
No. of bonds 42
Polar Surface Area 153.62
LOGP Value -0.40      (Computed with XLOGP3)
1.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
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): P02919  
Entrez Gene IDNCBI Entrez Gene ID: 944843  
ASDInformation of known allosteric effects of PDB entries

 
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