BMRB Entry 30574

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PDB ID: 6o0i
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30574
MolProbity Validation Chart

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Title:
NMR ensemble of computationally designed protein XAA
Deposition date:
2019-02-16
Original release date:
2020-04-17
Authors:
Wei, K.; Moschidi, D.; Nerli, S.; Sgourakis, N.; Baker, D.
Citation:

Citation: Wei, K.; Moschidi, D.; Bick, M.; Nerli, S.; McShan, A.; Carter, L.; Huang, P.; Fletcher, D.; Sgourakis, N.; Boyken, S.; Baker, D.. "Computational design of closely related proteins that adopt two well-defined but structurally divergent folds"  Proc. Natl. Acad. Sci. U. S. A. 117, 7208-7215 (2020).
PubMed: 32188784

Assembly members:

Assembly members:
entity_1, polymer, 98 residues, 11094.648 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 32630   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMGTEDLKYSLERLREIL ERLEENPSEKQIVEAIRAIV ENNAQIVEAIRAIVENNAQI VENNRAIIEALEAIGGGTKI LEEMKKQLKDLKRSLERG

Data sets:
Data typeCount
13C chemical shifts864
15N chemical shifts261
1H chemical shifts558

Additional metadata:

  • Assembly
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, 11
2entity_1, 21
3entity_1, 31

Entities:

Entity 1, entity_1, 1 98 residues - 11094.648 Da.

1   GLYSERHISMETGLYTHRGLUASPLEULYS
2   TYRSERLEUGLUARGLEUARGGLUILELEU
3   GLUARGLEUGLUGLUASNPROSERGLULYS
4   GLNILEVALGLUALAILEARGALAILEVAL
5   GLUASNASNALAGLNILEVALGLUALAILE
6   ARGALAILEVALGLUASNASNALAGLNILE
7   VALGLUASNASNARGALAILEILEGLUALA
8   LEUGLUALAILEGLYGLYGLYTHRLYSILE
9   LEUGLUGLUMETLYSLYSGLNLEULYSASP
10   LEULYSARGSERLEUGLUARGGLY

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