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Related entries of code: 5duc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5dtwRCSB PDB    PDBbind263aa, >5DTW_1|Chains... *
5du4RCSB PDB    PDBbind263aa, >5DU4_1|Chain... at 100%
5du6RCSB PDB    PDBbind263aa, >5DU6_1|Chains... at 100%
5du8RCSB PDB    PDBbind263aa, >5DU8_1|Chains... at 100%
5dufRCSB PDB    PDBbind263aa, >5DUF_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5duc
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameM. tuberculosis enoyl-CoA hydratase EchA6
Ligand NameG51
EC.Number E.C.4.2.1.17
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)Kd=0.45uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nat Microbiol Vol. 1: pp. 15006-15006
Ligand Properties
Formula C24H23F3N4O3
Molecular Weight 472.460
Exact Mass 472.172
No. of atoms 57
No. of bonds 61
Polar Surface Area 77.41
LOGP Value 4.67      (Computed with XLOGP3)
5.29      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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): P9WNP1  
Entrez Gene IDNCBI Entrez Gene ID: 885825  
ASDInformation of known allosteric effects of PDB entries

 
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