Browse entries in the PDBbind-CN Database

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Related entries of code: 4k19
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1l6mRCSB PDB    PDBbind180aa, >1L6M_1|Chains... at 98%
3fw4RCSB PDB    PDBbind178aa, >3FW4_1|Chains... at 100%
3tf6RCSB PDB    PDBbind179aa, >3TF6_1|Chains... at 99%
3u0dRCSB PDB    PDBbind198aa, >3U0D_1|Chains... *
6qmuRCSB PDB    PDBbind188aa, >6QMU_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4k19
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNeutrophil gelatinase-associated lipocalin
Ligand Name1OD
EC.Number E.C.-.-.-.-
Resolution 2.74(Å)
Affinity (Kd/Ki/IC50)Kd=4.4nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Acs Chem.Biol. Vol. 8: pp. 1882-1887
Ligand Properties
Formula C31H34N4O10
Molecular Weight 622.622
Exact Mass 622.227
No. of atoms 79
No. of bonds 82
Polar Surface Area 221.48
LOGP Value 3.25      (Computed with XLOGP3)
2.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 4
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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