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Related entries of code: 5hm3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5ey9RCSB PDB    PDBbind629aa, >5EY9_1|Chains... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5hm3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLong-chain-fatty-acid-AMP Ligase FadD32 from Mycobacterium tuberculosis
Ligand Name649
EC.Number E.C.6.2.1
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)IC50=6.8uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Acs Infect Dis. Vol. 2: pp. 579-591
Ligand Properties
Formula C27H38N6O8S
Molecular Weight 606.691
Exact Mass 606.247
No. of atoms 80
No. of bonds 83
Polar Surface Area 209.39
LOGP Value 2.54      (Computed with XLOGP3)
4.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 14
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): O53580  
Entrez Gene IDNCBI Entrez Gene ID: 886130  
ASDInformation of known allosteric effects of PDB entries

 
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