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Related entries of code: 4k3h
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4k3h
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameImmunoglobulin lambda variable domain L5(L89S)
Ligand Name1OM
EC.Number E.C.-.-.-.-
Resolution 2.45(Å)
Affinity (Kd/Ki/IC50)Kd=140nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Mol.Biol. Vol. 425: pp. 4595-4613
Ligand Properties
Formula C23H26N2O
Molecular Weight 346.465
Exact Mass 346.205
No. of atoms 52
No. of bonds 54
Polar Surface Area 26.71
LOGP Value 5.19      (Computed with XLOGP3)
4.70      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 3
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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