Browse entries in the PDBbind-CN Database

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Related entries of code: 5nkn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4lzrRCSB PDB    PDBbindLOC
4o2bRCSB PDB    PDBbindLOC
5xiwRCSB PDB    PDBbindLOC
6ajzRCSB PDB    PDBbindLOC
Entry Information
PDB ID5nkn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNeutrophil gelatinase-associated lipocalin
Ligand NameLOC
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=120pM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Biol. Chem. Vol. : pp. -
Ligand Properties
Formula C22H25NO6
Molecular Weight 399.437
Exact Mass 399.168
No. of atoms 54
No. of bonds 56
Polar Surface Area 83.09
LOGP Value 1.96      (Computed with XLOGP3)
3.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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): P80188  
Entrez Gene IDNCBI Entrez Gene ID: 3934  
ASDInformation of known allosteric effects of PDB entries
 
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