A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate

Summary for 3DSE

Related2ISG 1XTF 3DS9 3DSE
DescriptorBotulinum neurotoxin type A, ZINC ION, NICKEL (II) ION, ... (4 entities in total)
Functional Keywordssnare, botulism, inhibition, metalloprotease, neurotransmission, neuromuscular junction, hydrolase, membrane, metal-binding, neurotoxin, pharmaceutical, protease, secreted, toxin, transmembrane, zinc
Biological sourceClostridium botulinum
Cellular locationBotulinum neurotoxin A light chain: Secreted. Botulinum neurotoxin A heavy chain: Secreted A5HZZ9
Total number of polymer chains1
Total molecular weight47902.09
Zuniga, J.E.,Fenn, T. (deposition date: 2008-07-11, release date: 2008-09-30, Last modification date: 2011-11-16)
Primary citation
Zuniga, J.E.,Schmidt, J.J.,Fenn, T.,Burnett, J.C.,Arac, D.,Gussio, R.,Stafford, R.G.,Badie, S.S.,Bavari, S.,Brunger, A.T.
A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate
Structure, 16:1588-1597, 2008
PubMed: 18940613 (PDB entries with the same primary citation)
DOI: 10.1016/j.str.2008.07.011
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23860 2.6% 3.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-10-21