BMRB Entry 30734

Title:
NMR-driven structure of KRAS4B-GTP homodimer on a lipid bilayer nanodisc   PubMed: 32227412
Deposition date:
2020-03-10
Original release date:
2020-04-08
Authors:
Lee, K.; Fang, Z.; Enomoto, M.; Gasmi-Seabrook, G.; Zheng, L.; Marshall, C.; Ikura, M.
Citation:

Citation: Lee, K.; Fang, Z.; Enomoto, M.; Seabrook, G.; Zheng, L.; Koide, S.; Ikura, M.; Marshall, C.. "Two Distinct Structures of Membrane-associated Homodimers of GTP- and GDP-bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement."  Angew. Chem. Int. Ed. Engl. 59, 11037-11045 (2020).

Assembly members:

Assembly members:
entity_1, polymer, 200 residues, 23234.295 Da.
entity_2, polymer, 185 residues, 21130.037 Da.
entity_PCW, non-polymer, 787.121 Da.
entity_17F, non-polymer, 788.043 Da.
entity_GSP, non-polymer, 539.246 Da.
entity_MG, non-polymer, 24.305 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli K-12

Experimental source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli K-12

Data sets:
Data typeCount
13C chemical shifts31
15N chemical shifts15
1H chemical shifts108

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, 11
2entity_1, 21
3entity_2, 12
4entity_2, 22
5entity_3, 13
6entity_3, 23
7entity_3, 33
8entity_3, 43
9entity_3, 53
10entity_3, 63
11entity_3, 73
12entity_3, 83
13entity_3, 93
14entity_3, 103
15entity_3, 113
16entity_3, 123
17entity_3, 133
18entity_3, 143
19entity_3, 153
20entity_3, 163
21entity_3, 173
22entity_3, 183
23entity_3, 193
24entity_3, 203
25entity_3, 213
26entity_3, 223
27entity_3, 233
28entity_3, 243
29entity_3, 253
30entity_3, 263
31entity_3, 273
32entity_3, 283
33entity_3, 293
34entity_3, 303
35entity_3, 313
36entity_3, 323
37entity_3, 333
38entity_3, 343
39entity_3, 353
40entity_3, 363
41entity_3, 373
42entity_3, 383
43entity_3, 393
44entity_3, 403
45entity_3, 413
46entity_3, 423
47entity_3, 433
48entity_3, 443
49entity_3, 453
50entity_3, 463
51entity_3, 473
52entity_3, 483
53entity_3, 493
54entity_3, 503
55entity_3, 513
56entity_3, 523
57entity_3, 533
58entity_3, 543
59entity_3, 553
60entity_3, 563
61entity_3, 573
62entity_3, 583
63entity_3, 593
64entity_3, 603
65entity_3, 613
66entity_3, 623
67entity_3, 633
68entity_3, 643
69entity_4, 14
70entity_4, 24
71entity_4, 34
72entity_4, 44
73entity_4, 54
74entity_4, 64
75entity_4, 74
76entity_4, 84
77entity_4, 94
78entity_4, 104
79entity_4, 114
80entity_4, 124
81entity_4, 134
82entity_4, 144
83entity_4, 154
84entity_4, 164
85entity_5, 15
86entity_5, 25
87entity_6, 16
88entity_6, 26

Entities:

Entity 1, entity_1, 1 200 residues - 23234.295 Da.

1   GLYPROLEULYSLEULEUASPASNTRPASP
2   SERVALTHRSERTHRPHESERLYSLEUARG
3   GLUGLNLEUGLYPROVALTHRGLNGLUPHE
4   TRPASPASNLEUGLULYSGLUTHRGLUGLY
5   LEUARGGLNGLUMETSERLYSASPLEUGLU
6   GLUVALLYSALALYSVALGLNPROTYRLEU
7   ASPASPPHEGLNLYSLYSTRPGLNGLUGLU
8   METGLULEUTYRARGGLNLYSVALGLUPRO
9   LEUARGALAGLULEUGLNGLUGLYALAARG
10   GLNLYSLEUHISGLULEUGLNGLULYSLEU
11   SERPROLEUGLYGLUGLUMETARGASPARG
12   ALAARGALAHISVALASPALALEUARGTHR
13   HISLEUALAPROTYRSERASPGLULEUARG
14   GLNARGLEUALAALAARGLEUGLUALALEU
15   LYSGLUASNGLYGLYALAARGLEUALAGLU
16   TYRHISALALYSALATHRGLUHISLEUSER
17   THRLEUSERGLULYSALALYSPROALALEU
18   GLUASPLEUARGGLNGLYLEULEUPROVAL
19   LEUGLUSERPHELYSVALSERPHELEUSER
20   ALALEUGLUGLUTYRTHRLYSLYSLEUASN

Entity 2, entity_2, 1 185 residues - 21130.037 Da.

1   SERTHRGLUTYRLYSLEUVALVALVALGLY
2   ALAASPGLYVALGLYLYSSERALALEUTHR
3   ILEGLNLEUILEGLNASNHISPHEVALASP
4   GLUTYRASPPROTHRILEGLUASPSERTYR
5   ARGLYSGLNVALVALILEASPGLYGLUTHR
6   CYSLEULEUASPILELEUASPTHRALAGLY
7   GLNGLUGLUTYRSERALAMETARGASPGLN
8   TYRMETARGTHRGLYGLUGLYPHELEUCYS
9   VALPHEALAILEASNASNTHRLYSSERPHE
10   GLUASPILEHISHISTYRARGGLUGLNILE
11   LYSARGVALLYSASPSERGLUASPVALPRO
12   METVALLEUVALGLYASNLYSCYSASPLEU
13   PROSERARGTHRVALASPTHRLYSGLNALA
14   GLNASPLEUALAARGSERTYRGLYILEPRO
15   PHEILEGLUTHRSERALALYSTHRARGGLN
16   GLYVALASPASPALAPHETYRTHRLEUVAL
17   ARGGLUILEARGLYSHISLYSGLULYSMET
18   SERLYSASPGLYLYSLYSLYSLYSLYSLYS
19   SERLYSTHRLYSCYS

Entity 3, entity_3, 1 - C44 H85 N O8 P - 787.121 Da.

1   PCW

Entity 4, entity_4, 1 - C42 H78 N O10 P - 788.043 Da.

1   17F

Entity 5, entity_5, 1 - C10 H16 N5 O13 P3 S - 539.246 Da.

1   GSP

Entity 6, entity_6, 1 - Mg - 24.305 Da.

1   MG

Samples:

sample_1: KRAS4B, [ILV 13C-methyl; Lys 15N-amide], 80 uM

sample_conditions_1: ionic strength: 100 mM; pH: 7.4; pressure: 1 atm; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C TROSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - data analysis

HADDOCK, Bonvin - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts