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Related entries of code: 4rlw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4rltRCSB PDB    PDBbind147aa, >4RLT_2|Chain... *
4rluRCSB PDB    PDBbind147aa, >4RLU_2|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 ID4rlw
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name(3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis
Ligand NameBUN
EC.Number E.C.4.2.1.59
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=13.4uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Protein Cell Vol. 6: pp. 504-517
Ligand Properties
Formula C15H14O5
Molecular Weight 274.269
Exact Mass 274.084
No. of atoms 34
No. of bonds 35
Polar Surface Area 101.15
LOGP Value 2.51      (Computed with XLOGP3)
2.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
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): P9WFK1  I6WYY7  
Entrez Gene IDNCBI Entrez Gene ID: 45424594  888032  45424595  888031  
ASDInformation of known allosteric effects of PDB entries

 
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