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BMRB: 19835

2MLX

NMR structure of E. coli Trigger Factor in complex with unfolded PhoA220-310

Authors

Saio, T., Guan, X., Rossi, P., Economou, A., Kalodimos, C.G.

Assembly

E. coli Trigger Factor in complex with unfolded PhoA220-310

Entity

1. E. coli Trigger Factor in complex with unfolded PhoA220-310, entity 1 (polymer, Thiol state: all free), 93 monomers, 9854.951 Da Detail

HMARADVTLG GGAKTFAETA TAGEWQGKTL REQAQARGYQ LVSDAASLNS VTEANQQKPL LGLFADGNMP VRWLGPKATY HGNIDKPAVT CTP

2. E. coli Trigger Factor in complex with unfolded PhoA220-310, entity 2 (polymer, Thiol state: not present), 443 monomers, 49624.62 Da Detail

MNHKVHHHHH HMQVSVETTQ GLGRRVTITI AADSIETAVK SELVNVAKKV RIDGFRKGKV PMNIVAQRYG ASVRQDVLGD LMSRNFIDAI IKEKINPAGA PTYVPGEYKL GEDFTYSVEF EVYPEVELQG LEAIEVEKPI VEVTDADVDG MLDTLRKQQA TWKEKDGAVE AEDRVTIDFT GSVDGEEFEG GKASDFVLAM GQGRMIPGFE DGIKGHKAGE EFTIDVTFPE EYHAENLKGK AAKFAINLKK VEERELPELT AEFIKRFGVE DGSVEGLRAE VRKNMERELK SAIRNRVKSQ AIEGLVKAND IDVPAALIDS EIDVLRRQAA QRFGGNEKQA LELPRELFEE QAKRRVVVGL LLGEVIRTNE LKADEERVKG LIEEMASAYE DPKEVIEFYS KNKELMDNMR NVALEEQAVE AVLAKAKVTE KETTFNELMN QQA

Total weight

59479.57 Da

Max. entity weight

49624.62 Da

Source organism

Escherichia coli BL21(DE3)

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 79.7 %, Completeness: 40.7 %, Completeness (bb): 45.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	40.7 % (2507 of 6162)	40.1 % (1288 of 3210)	33.5 % (799 of 2387)	74.3 % (420 of 565)
Backbone	45.8 % (1458 of 3182)	53.3 % (585 of 1097)	29.4 % (461 of 1566)	79.4 % (412 of 519)
Sidechain	35.1 % (1221 of 3474)	32.9 % (695 of 2113)	39.4 % (518 of 1315)	17.4 % (8 of 46)
Aromatic	28.9 % (101 of 350)	29.1 % (51 of 175)	28.5 % (49 of 172)	33.3 % (1 of 3)
Methyl	70.7 % (437 of 618)	70.9 % (219 of 309)	70.6 % (218 of 309)

1. entity 1

HMARADVTLG GGAKTFAETA TAGEWQGKTL REQAQARGYQ LVSDAASLNS VTEANQQKPL LGLFADGNMP VRWLGPKATY HGNIDKPAVT CTP

2. entity 2

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	0.5 mM
2	entity_2	[U-100% 13C; U-100% 15N]	0.5 mM
3	potassium chloride	natural abundance	100 mM
4	BME	natural abundance	3 mM
5	potassium phosphate	natural abundance	20 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

Chem. Shift Complete2

Sequence coverage: 32.1 %, Completeness: 28.8 %, Completeness (bb): 33.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	28.8 % (3547 of 12324)	28.6 % (1838 of 6420)	23.9 % (1143 of 4774)	50.1 % (566 of 1130)
Backbone	33.0 % (2099 of 6364)	38.5 % (844 of 2194)	22.3 % (698 of 3132)	53.7 % (557 of 1038)
Sidechain	24.2 % (1681 of 6948)	23.2 % (980 of 4226)	26.3 % (692 of 2630)	9.8 % (9 of 92)
Aromatic	18.9 % (132 of 700)	20.6 % (72 of 350)	17.2 % (59 of 344)	16.7 % (1 of 6)
Methyl	47.6 % (588 of 1236)	48.2 % (298 of 618)	46.9 % (290 of 618)

1. entity 1

HMARADVTLG GGAKTFAETA TAGEWQGKTL REQAQARGYQ LVSDAASLNS VTEANQQKPL LGLFADGNMP VRWLGPKATY HGNIDKPAVT CTP

2. entity 2

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	0.5 mM
2	entity_2	[U-100% 13C; U-100% 15N]	0.5 mM
3	potassium chloride	natural abundance	100 mM
4	BME	natural abundance	3 mM
5	potassium phosphate	natural abundance	20 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 10 models in PDB: 2MLX, Strand ID: A, B Detail

Release date

2014-05-19

Citation

Structural basis for protein antiaggregation activity of the trigger factor chaperone
Saio, T., Guan, X., Rossi, P., Economou, A., Kalodimos, C.G.
Science (2014), 344, 1250494-1250494, PubMed 24812405 , DOI 10.1126/science.1250494 , Abstract

Related entities 1. E. coli Trigger Factor in complex with unfolded PhoA220-310, entity 1, : 1 : 37 : 19 entities Detail

Related entities 2. E. coli Trigger Factor in complex with unfolded PhoA220-310, entity 2, : 3 : 4 entities Detail

Interaction partners 1. E. coli Trigger Factor in complex with unfolded PhoA220-310, entity 1, : 8 interactors Detail

More details for 8 interactors identified by 5 citations

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC