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Related entries of code: 5d1w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1b56RCSB PDB    PDBbindPLM
2hmbRCSB PDB    PDBbindPLM
2hnxRCSB PDB    PDBbindPLM
3l1nRCSB PDB    PDBbindPLM
3qlmRCSB PDB    PDBbindPLM
3uewRCSB PDB    PDBbindPLM
3v2qRCSB PDB    PDBbindPLM
4tkjRCSB PDB    PDBbindPLM
6qi7RCSB PDB    PDBbindPLM

Entry Information
PDB ID5d1w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMycobacterium tuberculosis Rv3249c transcriptional regulator
Ligand NamePLM
EC.Number E.C.-.-.-.-
Resolution 3.59(Å)
Affinity (Kd/Ki/IC50)Kd=7.5uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Biol.Chem. Vol. 290: pp. 28559-28574
Ligand Properties
Formula C16H32O2
Molecular Weight 256.424
Exact Mass 256.240
No. of atoms 50
No. of bonds 49
Polar Surface Area 37.3
LOGP Value 8.56      (Computed with XLOGP3)
5.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
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): O05892  
Entrez Gene IDNCBI Entrez Gene ID: 45427243  888741  
ASDInformation of known allosteric effects of PDB entries

 
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