Browse entries in the PDBbind-CN Database

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Related entries of code: 5c5h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6nj0RCSB PDB    PDBbind451aa, >6NJ0_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5c5h
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE. coli MenE R195K mutant
Ligand Name4YB
EC.Number E.C.6.2.1.26
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Kd=394nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Biochemistry Vol. 54: pp. 6514-6524
Ligand Properties
Formula C21H22N6O10S
Molecular Weight 550.499
Exact Mass 550.112
No. of atoms 60
No. of bonds 63
Polar Surface Area 254.53
LOGP Value -0.98      (Computed with XLOGP3)
0.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 16
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): P37353  
Entrez Gene IDNCBI Entrez Gene ID: 946741  
ASDInformation of known allosteric effects of PDB entries

 
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