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Complex of the amino terminal domain of enzyme I and the histidine-containing phosphocarrier protein HPr from Escherichia coli nmr, restrained regularized mean structure
Authors
Clore, G.M., Garrett, D.S., Gronenborn, A.M.
Assembly
Phosphotransferase system, enzyme I
Entity
1. Enzyme I, N-terminal (polymer, Thiol state: not present), 259 monomers, 28345.97 Da Detail

MISGILASPG IAFGKALLLK EDEIVIDRKK ISADQVDQEV ERFLSGRAKA SAQLETIKTK AGETFGEEKE AIFEGHIMLL EDEELEQEII ALIKDKHMTA DAAAHEVIEG QASALEELDD EYLKERAADV RDIGKRLLRN ILGLKIIDLS AIQDEVILVA ADLTPSETAQ LNLKKVLGFI TDAGGRTSHT SIMARSLELP AIVGTGSVTS QVKNDDYLIL DAVNNQVYVN PTNEVIDKMR AVQEQVASEK AELAKLKDR


2. Histidine Phosphocarrier (polymer, Thiol state: not present), 85 monomers, 9119.249 Da Detail

MFQQEVTITA PNGLHTRPAA QFVKEAKGFT SEITVTSNGK SASAKSLFKL QTLGLTQGTV VTISAEGEDE QKAVEHLVKL MAELE


Total weight
37465.22 Da
Max. entity weight
28345.97 Da
Source organism
Escherichia coli
Exptl. method
NMR
Refine. method
SIMULATED ANNEALING
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 74.7 %, Completeness: 58.1 %, Completeness (bb): 69.3 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All58.1 % (2279 of 3925)53.4 % (1079 of 2022)61.5 % (939 of 1527)69.4 % (261 of 376)
Backbone69.3 % (1408 of 2031)70.2 % (479 of 682)67.4 % (681 of 1011)73.4 % (248 of 338)
Sidechain50.0 % (1109 of 2217)44.8 % (600 of 1340)59.1 % (496 of 839)34.2 % (13 of 38)
Aromatic25.4 % (35 of 138)30.4 % (21 of 69)20.3 % (14 of 69)
Methyl65.0 % (308 of 474)67.5 % (160 of 237)62.4 % (148 of 237)

1. Enzyme I, N-terminal

MISGILASPG IAFGKALLLK EDEIVIDRKK ISADQVDQEV ERFLSGRAKA SAQLETIKTK AGETFGEEKE AIFEGHIMLL EDEELEQEII ALIKDKHMTA DAAAHEVIEG QASALEELDD EYLKERAADV RDIGKRLLRN ILGLKIIDLS AIQDEVILVA ADLTPSETAQ LNLKKVLGFI TDAGGRTSHT SIMARSLELP AIVGTGSVTS QVKNDDYLIL DAVNNQVYVN PTNEVIDKMR AVQEQVASEK AELAKLKDR

2. Histidine Phosphocarrier

MFQQEVTITA PNGLHTRPAA QFVKEAKGFT SEITVTSNGK SASAKSLFKL QTLGLTQGTV VTISAEGEDE QKAVEHLVKL MAELE

Sample

Temperature 313 K, pH 7.0


#NameIsotope labelingTypeConcentration
1Enzyme I, N-terminal0.0 ~ 0.0 mM
2Histidine Phosphocarrier0.0 ~ 0.0 mM
3D2O0.0 ~ 0.0 %
4H2O0.0 ~ 0.0 %

Chem. Shift Complete2
Sequence coverage: 27.6 %, Completeness: 40.5 %, Completeness (bb): 48.0 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All40.5 % (3179 of 7850)37.4 % (1513 of 4044)43.0 % (1314 of 3054)46.8 % (352 of 752)
Backbone48.0 % (1951 of 4062)48.6 % (663 of 1364)46.9 % (949 of 2022)50.1 % (339 of 676)
Sidechain35.1 % (1555 of 4434)31.7 % (850 of 2680)41.2 % (692 of 1678)17.1 % (13 of 76)
Aromatic20.7 % (57 of 276)24.6 % (34 of 138)16.7 % (23 of 138)
Methyl45.7 % (433 of 948)46.8 % (222 of 474)44.5 % (211 of 474)

1. Enzyme I, N-terminal

MISGILASPG IAFGKALLLK EDEIVIDRKK ISADQVDQEV ERFLSGRAKA SAQLETIKTK AGETFGEEKE AIFEGHIMLL EDEELEQEII ALIKDKHMTA DAAAHEVIEG QASALEELDD EYLKERAADV RDIGKRLLRN ILGLKIIDLS AIQDEVILVA ADLTPSETAQ LNLKKVLGFI TDAGGRTSHT SIMARSLELP AIVGTGSVTS QVKNDDYLIL DAVNNQVYVN PTNEVIDKMR AVQEQVASEK AELAKLKDR

2. Histidine Phosphocarrier

MFQQEVTITA PNGLHTRPAA QFVKEAKGFT SEITVTSNGK SASAKSLFKL QTLGLTQGTV VTISAEGEDE QKAVEHLVKL MAELE

Sample

Temperature 313 K, pH 7.0


#NameIsotope labelingTypeConcentration
1Enzyme I, N-terminal0.0 ~ 0.0 mM
2Histidine Phosphocarrier0.0 ~ 0.0 mM
3D2O0.0 ~ 0.0 %
4H2O0.0 ~ 0.0 %

Chem. Shift Complete3
Sequence coverage: 78.8 %, Completeness: 41.0 %, Completeness (bb): 51.0 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All41.0 % (4831 of 11775)34.1 % (2067 of 6066)46.5 % (2131 of 4581)56.1 % (633 of 1128)
Backbone51.0 % (3105 of 6093)48.0 % (982 of 2046)50.2 % (1522 of 3033)59.3 % (601 of 1014)
Sidechain34.6 % (2302 of 6651)27.0 % (1086 of 4020)47.0 % (1184 of 2517)28.1 % (32 of 114)
Aromatic13.8 % (57 of 414)16.4 % (34 of 207)11.1 % (23 of 207)
Methyl42.3 % (602 of 1422)36.8 % (262 of 711)47.8 % (340 of 711)

1. Enzyme I, N-terminal

MISGILASPG IAFGKALLLK EDEIVIDRKK ISADQVDQEV ERFLSGRAKA SAQLETIKTK AGETFGEEKE AIFEGHIMLL EDEELEQEII ALIKDKHMTA DAAAHEVIEG QASALEELDD EYLKERAADV RDIGKRLLRN ILGLKIIDLS AIQDEVILVA ADLTPSETAQ LNLKKVLGFI TDAGGRTSHT SIMARSLELP AIVGTGSVTS QVKNDDYLIL DAVNNQVYVN PTNEVIDKMR AVQEQVASEK AELAKLKDR

2. Histidine Phosphocarrier

MFQQEVTITA PNGLHTRPAA QFVKEAKGFT SEITVTSNGK SASAKSLFKL QTLGLTQGTV VTISAEGEDE QKAVEHLVKL MAELE

Sample

Temperature 313 K, pH 7.0


#NameIsotope labelingTypeConcentration
5Enzyme I, N-terminal[U-2H]0.0 ~ 0.0 mM
6Histidine Phosphocarrier[U-2H]0.0 ~ 0.0 mM
7D2O0.0 ~ 0.0 %
8H2O0.0 ~ 0.0 %

Chem. Shift Complete4
Sequence coverage: 43.9 %, Completeness: 36.4 %, Completeness (bb): 45.7 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All36.4 % (5710 of 15700)29.8 % (2414 of 8088)41.2 % (2514 of 6108)52.0 % (782 of 1504)
Backbone45.7 % (3710 of 8124)43.0 % (1172 of 2728)44.4 % (1796 of 4044)54.9 % (742 of 1352)
Sidechain30.3 % (2691 of 8868)23.2 % (1244 of 5360)41.9 % (1407 of 3356)26.3 % (40 of 152)
Aromatic10.5 % (58 of 552)12.7 % (35 of 276) 8.3 % (23 of 276)
Methyl37.2 % (705 of 1896)31.9 % (302 of 948)42.5 % (403 of 948)

1. Enzyme I, N-terminal

MISGILASPG IAFGKALLLK EDEIVIDRKK ISADQVDQEV ERFLSGRAKA SAQLETIKTK AGETFGEEKE AIFEGHIMLL EDEELEQEII ALIKDKHMTA DAAAHEVIEG QASALEELDD EYLKERAADV RDIGKRLLRN ILGLKIIDLS AIQDEVILVA ADLTPSETAQ LNLKKVLGFI TDAGGRTSHT SIMARSLELP AIVGTGSVTS QVKNDDYLIL DAVNNQVYVN PTNEVIDKMR AVQEQVASEK AELAKLKDR

2. Histidine Phosphocarrier

MFQQEVTITA PNGLHTRPAA QFVKEAKGFT SEITVTSNGK SASAKSLFKL QTLGLTQGTV VTISAEGEDE QKAVEHLVKL MAELE

Sample

Temperature 313 K, pH 7.0


#NameIsotope labelingTypeConcentration
5Enzyme I, N-terminal[U-2H]0.0 ~ 0.0 mM
6Histidine Phosphocarrier[U-2H]0.0 ~ 0.0 mM
7D2O0.0 ~ 0.0 %
8H2O0.0 ~ 0.0 %

LACS Plot; CA
Referencing offset: 0.4 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: 0.4 ppm, Outliers: 2 Detail
Protein Blocks Logo
Calculated from 1 models in PDB: 3EZA, Strand ID: A, B Detail


Release date
2000-05-01
Citation
Solution structure of the 40,000 Mr phosphoryl transfer complex between the N-terminal domain of enzyme I and HPr
GARRETT, D.S., SEOK, Y.J., PETERKOFSKY, A., GRONENBORN, A.M., CLORE, G.M.
Nat. Struct. Biol. (1999), 6, 166-173, PubMed 10048929 , DOI 10.1038/5854 ,
Related entities 1. Enzyme I, N-terminal, : 1 : 9 : 7 : 5 entities Detail
Related entities 2. Histidine Phosphocarrier, : 1 : 11 : 4 : 59 entities Detail
Interaction partners 2. Histidine Phosphocarrier, : 10 interactors Detail
Experiments performed 6 experiments Detail
Keywords PHOSPHOTRANSFERASE, TRANSFERASE, KINASE, SUGAR TRANSPORT