| Reaction Details |
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 | Report a problem with these data |
| Target | Endochitinase B1 [A217G] |
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| Ligand | BDBM10853 |
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| Substrate/Competitor | BDBM10852 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| Kd | 4240±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 [A217G] |
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| Name: | Endochitinase B1 [A217G] |
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| Synonyms: | AfChiB1(A217G) | CHIB1_ASPFM | Chitinase Mutant (A217G) | Class V chitinase ChiB1mutant A217G | chiB1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 47598.95 |
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| Organism: | Aspergillus fumigatus |
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| Description: | Q873X9[A217G] |
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| Residue: | 433 |
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| Sequence: | MRFATSTIVKVALLLSSLCVDAAVMWNRDTSSTDLEARASSGYRSVVYFVNWAIYGRNHN
PQDLPVERLTHVLYAFANVRPETGEVYMTDSWADIEKHYPGDSWSDTGNNVYGCIKQLYL
LKKQNRNLKVLLSIGGWTYSPNFAPAASTDAGRKNFAKTAVKLLQDLGFDGLDIDWEYPE
NDQQANDFVLLLKEVRTALDSYSAANAGGQHFLLTVGSPAGPDKIKVLHLKDMDQQLDFW
NLMAYDYAGSFSSLSGHQANVYNDTSNPLSTPFNTQTALDLYRAGGVPANKIVLGMPLYG
RSFANTDGPGKPYNGVGQGSWENGVWDYKALPQAGATEHVLPDIMASYSYDATNKFLISY
DNPQVANLKSGYIKSLGLGGAMWWDSSSDKTGSDSLITTVVNALGGTGVFEQSQNELDYP
VSQYDNLRNGMQT
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| BDBM10853 |
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| BDBM10852 |
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| Name | BDBM10853 |
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| Synonyms: | (2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(methylcarbamoyl)amino]methanimidoyl}amino)propyl]-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid | Argifin |
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| Type | Small organic molecule |
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| Emp. Form. | C29H41N9O10 |
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| Mol. Mass. | 675.6901 |
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| SMILES | CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O |r| |
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| Structure | 
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