Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetChitinase Mutant (T138A)
LigandBDBM10854
Substrate/CompetitorBDBM10852
Meas. Tech.Enzyme Inhibition Assay
Kd 3040±n/a nM
Citation Rao FVHouston DRBoot RGAerts JMHodkinson MAdams DJShiomi KOmura Svan Aalten DM Specificity and affinity of natural product cyclopentapeptide inhibitors against A. fumigatus, human, and bacterial chitinases. Chem Biol 12:65-76 (2005) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Chitinase Mutant (T138A)
Name:Chitinase Mutant (T138A)
Synonyms:AfChiB1(T138A) | Class V chitinase ChiB1mutant T138A
Type:Enzyme
Mol. Mass.:47582.95
Organism:Aspergillus fumigatus
Description:n/a
Residue:433
Sequence:
MRFATSTIVKVALLLSSLCVDAAVMWNRDTSSTDLEARASSGYRSVVYFVNWAIYGRNHN
PQDLPVERLTHVLYAFANVRPETGEVYMTDSWADIEKHYPGDSWSDTGNNVYGCIKQLYL
LKKQNRNLKVLLSIGGWAYSPNFAPAASTDAGRKNFAKTAVKLLQDLGFDGLDIDWEYPE
NDQQANDFVLLLKEVRTALDSYSAANAGGQHFLLTVASPAGPDKIKVLHLKDMDQQLDFW
NLMAYDYAGSFSSLSGHQANVYNDTSNPLSTPFNTQTALDLYRAGGVPANKIVLGMPLYG
RSFANTDGPGKPYNGVGQGSWENGVWDYKALPQAGATEHVLPDIMASYSYDATNKFLISY
DNPQVANLKSGYIKSLGLGGAMWWDSSSDKTGSDSLITTVVNALGGTGVFEQSQNELDYP
VSQYDNLRNGMQT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM10854
BDBM10852
NameBDBM10854
Synonyms:4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethanimidoyl)amino]propyl}-18-hydroxy-16-(1H-imidazol-4-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentaazatricyclo[15.2.1.0^{4,8}]icosan-13-yl]butanoic acid | Argadin | CHEMBL445236
TypeSmall organic molecule
Emp. Form.C29H42N10O9
Mol. Mass.674.7054
SMILESCC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: