Published July 28, 2022
| Version v1
Dataset
Open
Do Go Chasing Waterfalls: Enoyl Reductase (FabI) in Complex with Inhibitors Stabilizes the Tetrameric Structure and Opens Water Channels - full trajectories of SaFabI and EcFabI monomers and G112/113V mutants
Authors/Creators
- 1. UFMG, BR
- 2. Tubingen University, DE
- 3. University of Sao Paulo, BR
Description
The following IDs are related to trajectories:
v36 = EcFabI apo, monomer
v42 = EcFabI + TCL complex, monomer
v43 = EcFabI + MUT complex, monomer
v44 = EcFabI + AFN complex, monomer
v35 = SaFabI apo, monomer
v45 = SaFabI + TCL complex, monomer
v46 = SaFabI + MUT complex, monomer
v47 = SaFabI + AFN complex, monomer
v52 = G112V EcFabI apo, tetramer
v53 = G112V EcFabI apo, monomer
v54 = G113V SaFabI apo, tetramer
v55 = G113V SaFabI apo, monomer
Files
v35.zip
Files
(40.3 GB)
| Name | Size | |
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md5:e83bdd537b96c9dd85db4b9ae4875402
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2.7 GB | Preview Download |
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md5:eb91885f03262c8a44561d912167d2ac
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2.9 GB | Preview Download |
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md5:5dcb947f511a47aafc4c75307e0870f3
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2.9 GB | Preview Download |
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md5:d363a1105310d4eea0ad438a93b0417d
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2.7 GB | Preview Download |
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md5:9a3336960d54c573ae9fc53214a143c2
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2.8 GB | Preview Download |
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md5:d0dd8de5c7ffe4ebbdf41c4b79585999
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2.8 GB | Preview Download |
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md5:3215252e9876ffdc3c9a83626daaa0fa
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2.8 GB | Preview Download |
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md5:ad637e1f61431f3f0324a7d27a71d548
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2.8 GB | Preview Download |
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md5:38f3c932033a28ff06f4d99f069803d3
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6.1 GB | Preview Download |
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md5:b969c6ec6a53f0a241f8df8efca7f303
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2.8 GB | Preview Download |
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md5:b9bcd31ab347f1586a339e518cfe1b5c
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6.1 GB | Preview Download |
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md5:6538b1db3f8e0b58ce47d2f52de4fc2d
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2.8 GB | Preview Download |
Additional details
Related works
- Is supplement to
- Journal article: 10.1021/acs.jcim.2c01178 (DOI)