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BMRB: 19837

2MLZ

NMR structure of E. coli Trigger Factor in complex with unfolded PhoA365-471

Authors

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

Assembly

E. coli Trigger Factor in complex with unfolded PhoA365-471

Entity

1. E. coli Trigger Factor in complex with unfolded PhoA365-471, entity 1 (polymer, Thiol state: not present), 114 monomers, 12136.44 Da Detail

HMQIGETVDL DEAVQRALEF AKKEGNTLVI VTADHAHASQ IVAPDTKAPG LTQALNTKDG AVMVMSYGNS EEDSQEHTGS QLRIAAYGPH AANVVGLTDQ TDLFYTMKAA LGLK

2. E. coli Trigger Factor in complex with unfolded PhoA365-471, 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

61761.062 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 Complete

Sequence coverage: 70.7 %, Completeness: 35.8 %, Completeness (bb): 40.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	35.8 % (2285 of 6381)	35.0 % (1160 of 3316)	30.3 % (750 of 2478)	63.9 % (375 of 587)
Backbone	40.6 % (1344 of 3312)	46.8 % (533 of 1140)	27.1 % (441 of 1630)	68.3 % (370 of 542)
Sidechain	31.2 % (1117 of 3585)	28.9 % (628 of 2176)	35.5 % (484 of 1364)	11.1 % (5 of 45)
Aromatic	24.6 % (85 of 346)	24.3 % (42 of 173)	24.4 % (42 of 172)	100.0 % (1 of 1)
Methyl	63.2 % (417 of 660)	62.7 % (207 of 330)	63.6 % (210 of 330)

1. entity 1

HMQIGETVDL DEAVQRALEF AKKEGNTLVI VTADHAHASQ IVAPDTKAPG LTQALNTKDG AVMVMSYGNS EEDSQEHTGS QLRIAAYGPH AANVVGLTDQ TDLFYTMKAA LGLK

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 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.19 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.19 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.06 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MLZ, 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

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 19835 released on 2014-05-19
    Title NMR structure of E. coli Trigger Factor in complex with unfolded PhoA220-310
  BMRB: 19836 released on 2014-05-19
    Title NMR structure of E. coli Trigger Factor in complex with unfolded PhoA1-150

Related entities 1. E. coli Trigger Factor in complex with unfolded PhoA365-471, entity 1, : 1 : 48 : 43 entities Detail

Related entities 2. E. coli Trigger Factor in complex with unfolded PhoA365-471, entity 2, : 2 : 4 entities Detail

Interaction partners 1. E. coli Trigger Factor in complex with unfolded PhoA365-471, entity 1, : 8 interactors Detail

More details for 8 interactors identified by 5 citations

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC