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BMRB: 19836

2MLY

NMR structure of E. coli Trigger Factor in complex with unfolded PhoA1-150

Authors

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

Assembly

E. coli Trigger Factor in complex with unfolded PhoA1-150

Entity

1. E. coli Trigger Factor in complex with unfolded PhoA1-150, entity 1 (polymer, Thiol state: not present), 151 monomers, 15886.77 Da Detail

HMKQSTIALA LLPLLFTPVT KARTPEMPVL ENRAAQGDIT APGGARRLTG DQTAALRDSL SDKPAKNIIL LIGDGMGDSE ITAARNYAEG AGGFFKGIDA LPLTGQYTHY ALNKKTGKPD YVTDSAASAT AWSTGVKTYN GALGVDIHEK D

2. E. coli Trigger Factor in complex with unfolded PhoA1-150, 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

65511.39 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: 72.6 %, Completeness: 41.1 %, Completeness (bb): 44.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	41.1 % (2793 of 6793)	41.3 % (1460 of 3532)	34.5 % (912 of 2643)	68.1 % (421 of 618)
Backbone	44.5 % (1567 of 3524)	52.5 % (639 of 1216)	29.4 % (510 of 1734)	72.8 % (418 of 574)
Sidechain	37.4 % (1428 of 3815)	35.5 % (822 of 2316)	41.4 % (603 of 1455)	6.8 % (3 of 44)
Aromatic	45.2 % (170 of 376)	41.0 % (77 of 188)	49.5 % (92 of 186)	50.0 % (1 of 2)
Methyl	64.3 % (450 of 700)	64.6 % (226 of 350)	64.0 % (224 of 350)

1. entity 1

HMKQSTIALA LLPLLFTPVT KARTPEMPVL ENRAAQGDIT APGGARRLTG DQTAALRDSL SDKPAKNIIL LIGDGMGDSE ITAARNYAEG AGGFFKGIDA LPLTGQYTHY ALNKKTGKPD YVTDSAASAT AWSTGVKTYN GALGVDIHEK D

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: 33.0 %, Completeness: 27.6 %, Completeness (bb): 31.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	27.6 % (3746 of 13586)	27.3 % (1927 of 7064)	23.2 % (1227 of 5286)	47.9 % (592 of 1236)
Backbone	31.1 % (2190 of 7048)	36.1 % (877 of 2432)	20.9 % (725 of 3468)	51.2 % (588 of 1148)
Sidechain	24.0 % (1831 of 7630)	22.7 % (1051 of 4632)	26.7 % (776 of 2910)	4.5 % (4 of 88)
Aromatic	28.7 % (216 of 752)	27.1 % (102 of 376)	30.4 % (113 of 372)	25.0 % (1 of 4)
Methyl	41.1 % (576 of 1400)	41.3 % (289 of 700)	41.0 % (287 of 700)

1. entity 1

HMKQSTIALA LLPLLFTPVT KARTPEMPVL ENRAAQGDIT APGGARRLTG DQTAALRDSL SDKPAKNIIL LIGDGMGDSE ITAARNYAEG AGGFFKGIDA LPLTGQYTHY ALNKKTGKPD YVTDSAASAT AWSTGVKTYN GALGVDIHEK D

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: 2MLY, 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 PhoA1-150, entity 1, : 1 : 36 : 26 entities Detail

Related entities 2. E. coli Trigger Factor in complex with unfolded PhoA1-150, entity 2, : 2 : 4 entities Detail

Interaction partners 1. E. coli Trigger Factor in complex with unfolded PhoA1-150, entity 1, : 8 interactors Detail

More details for 8 interactors identified by 5 citations

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC