| Reaction Details |
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 | Report a problem with these data |
| Target | Endochitinase B1 [E322A] |
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| Ligand | BDBM10854 |
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| Substrate/Competitor | BDBM10852 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| Kd | 2930±n/a nM |
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| Citation |  Rao, FV; Houston, DR; Boot, RG; Aerts, JM; Hodkinson, M; Adams, DJ; Shiomi, K; Omura, S; van Aalten, DM Specificity and affinity of natural product cyclopentapeptide inhibitors against A. fumigatus, human, and bacterial chitinases. Chem Biol12:65-76 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Endochitinase B1 [E322A] |
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| Name: | Endochitinase B1 [E322A] |
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| Synonyms: | AfChiB1(E322A) | CHIB1_ASPFM | Chitinase Mutant (E322A) | Class V chitinase ChiB1mutant E322A | chiB1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 47555.94 |
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| Organism: | Aspergillus fumigatus |
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| Description: | Q873X9[E322A] |
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| Residue: | 433 |
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| Sequence: | MRFATSTIVKVALLLSSLCVDAAVMWNRDTSSTDLEARASSGYRSVVYFVNWAIYGRNHN
PQDLPVERLTHVLYAFANVRPETGEVYMTDSWADIEKHYPGDSWSDTGNNVYGCIKQLYL
LKKQNRNLKVLLSIGGWTYSPNFAPAASTDAGRKNFAKTAVKLLQDLGFDGLDIDWEYPE
NDQQANDFVLLLKEVRTALDSYSAANAGGQHFLLTVASPAGPDKIKVLHLKDMDQQLDFW
NLMAYDYAGSFSSLSGHQANVYNDTSNPLSTPFNTQTALDLYRAGGVPANKIVLGMPLYG
RSFANTDGPGKPYNGVGQGSWANGVWDYKALPQAGATEHVLPDIMASYSYDATNKFLISY
DNPQVANLKSGYIKSLGLGGAMWWDSSSDKTGSDSLITTVVNALGGTGVFEQSQNELDYP
VSQYDNLRNGMQT
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| BDBM10854 |
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| BDBM10852 |
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| Name | BDBM10854 |
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| 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 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H42N10O9 |
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| Mol. Mass. | 674.7054 |
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| SMILES | CC(=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| |
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| Structure | 
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