Browse entries in the PDBbind-CN Database

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Related entries of code: 6nj0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5c5hRCSB PDB    PDBbind453aa, >5C5H_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6nj0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameWild-type E. coli MenE
Ligand NameKOY
EC.Number E.C.6.2.1.26
Resolution 1.83(Å)
Affinity (Kd/Ki/IC50)Kd=244nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Biochemistry Vol. 58: pp. 1918-1930
Ligand Properties
Formula C26H25N5O7
Molecular Weight 519.506
Exact Mass 519.175
No. of atoms 63
No. of bonds 67
Polar Surface Area 182.91
LOGP Value 2.08      (Computed with XLOGP3)
2.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 5
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): P37353  
Entrez Gene IDNCBI Entrez Gene ID: 946741  
ASDInformation of known allosteric effects of PDB entries

 
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