BMRB Entry 19958

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19958
MolProbity Validation Chart

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Title:
Protein Phosphorylation upon a Fleeting Encounter
Deposition date:
1998-02-06
Original release date:
2014-08-25
Authors:
Xing, Qiong; Yang, Ju; Huang, Peng; Zhang, Weiping; Tang, Chun
Citation:

Citation: Xing, Qiong; Ju, Yang; Huang, Peng; Zhang, Weiping; Tang, Chun. "Protein Phosphorylation upon a Fleeting Encounter"  Nature ., .-..

Assembly members:

Assembly members:
N-terminal_Domain_of_Enzyme_I, polymer, 259 residues, 28359 Da.
EIN_EIIAGlc, polymer, 168 residues, Formula weight is not available
PHOSPHITE ION, non-polymer, 78.972 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
N-terminal_Domain_of_Enzyme_I: MISGILASPGIAFGKALLLK EDEIVIDRKKISADQVDQEV ERFLSGRAKASAQLETIKTK AGETFGEEKEAIFEGHIMLL EDEELEQEIIALIKDKHMTA DAAAHEVIEGQASALEELDD EYLKERAADVRDIGKRLLRN ILGLKIIDLSAIQDEVILVA ADLTPSETAQLNLKKVLGFI TDAGGRTSHTSIMARSLELP AIVGTGSVTSQVKNDDYLIL DAVNNQVYVNPTNEVIDKMR AVQEQVASEKAELAKLKDR
EIN_EIIAGlc: GLFDKLKSLVSDDKKDTGTI EIIAPLSGEIVNIEDVPDVV FAEKIVGDGIAIKPTGNKMV APVDGTIGKIFETNHAFSIE SDSGVELFVHFGIDTVELKG EGFKRIAEEGQRVKVGDTVI EFDLPLLEEKAKSTLTPVVI SNMDEIKELIKLSGSVTVGE TPVIRIKK

Data sets:
Data typeCount
15N chemical shifts279
1H chemical shifts137

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Phosphotransferase system, enzyme I1
2EIIA-Glc, EIII-Glc, PTS system glucose-specific EIIA component2
3Phosphite Ion3

Entities:

Entity 1, Phosphotransferase system, enzyme I 259 residues - 28359 Da.

1   METILESERGLYILELEUALASERPROGLY
2   ILEALAPHEGLYLYSALALEULEULEULYS
3   GLUASPGLUILEVALILEASPARGLYSLYS
4   ILESERALAASPGLNVALASPGLNGLUVAL
5   GLUARGPHELEUSERGLYARGALALYSALA
6   SERALAGLNLEUGLUTHRILELYSTHRLYS
7   ALAGLYGLUTHRPHEGLYGLUGLULYSGLU
8   ALAILEPHEGLUGLYHISILEMETLEULEU
9   GLUASPGLUGLULEUGLUGLNGLUILEILE
10   ALALEUILELYSASPLYSHISMETTHRALA
11   ASPALAALAALAHISGLUVALILEGLUGLY
12   GLNALASERALALEUGLUGLULEUASPASP
13   GLUTYRLEULYSGLUARGALAALAASPVAL
14   ARGASPILEGLYLYSARGLEULEUARGASN
15   ILELEUGLYLEULYSILEILEASPLEUSER
16   ALAILEGLNASPGLUVALILELEUVALALA
17   ALAASPLEUTHRPROSERGLUTHRALAGLN
18   LEUASNLEULYSLYSVALLEUGLYPHEILE
19   THRASPALAGLYGLYARGTHRSERHISTHR
20   SERILEMETALAARGSERLEUGLULEUPRO
21   ALAILEVALGLYTHRGLYSERVALTHRSER
22   GLNVALLYSASNASPASPTYRLEUILELEU
23   ASPALAVALASNASNGLNVALTYRVALASN
24   PROTHRASNGLUVALILEASPLYSMETARG
25   ALAVALGLNGLUGLNVALALASERGLULYS
26   ALAGLULEUALALYSLEULYSASPARG

Entity 2, EIIA-Glc, EIII-Glc, PTS system glucose-specific EIIA component 168 residues - Formula weight is not available

1   GLYLEUPHEASPLYSLEULYSSERLEUVAL
2   SERASPASPLYSLYSASPTHRGLYTHRILE
3   GLUILEILEALAPROLEUSERGLYGLUILE
4   VALASNILEGLUASPVALPROASPVALVAL
5   PHEALAGLULYSILEVALGLYASPGLYILE
6   ALAILELYSPROTHRGLYASNLYSMETVAL
7   ALAPROVALASPGLYTHRILEGLYLYSILE
8   PHEGLUTHRASNHISALAPHESERILEGLU
9   SERASPSERGLYVALGLULEUPHEVALHIS
10   PHEGLYILEASPTHRVALGLULEULYSGLY
11   GLUGLYPHELYSARGILEALAGLUGLUGLY
12   GLNARGVALLYSVALGLYASPTHRVALILE
13   GLUPHEASPLEUPROLEULEUGLUGLULYS
14   ALALYSSERTHRLEUTHRPROVALVALILE
15   SERASNMETASPGLUILELYSGLULEUILE
16   LYSLEUSERGLYSERVALTHRVALGLYGLU
17   THRPROVALILEARGILELYSLYS

Entity 3, Phosphite Ion - O3 P - 78.972 Da.

1   PO3

Samples:

sample_DCN: N-terminal Domain of Enzyme I, [U-99% 15N], 0.5 mM; Enzyme II of Glucose, [U-99% 15N], 0.5 mM; H2O 90%; D2O 10%

sample_HN: N-terminal Domain of Enzyme I, [U-100% 1H; U-100% 12C; U-99%1 5N], 1 – 14 mM; EIN EIIAGlc, [U-99% 15N], 1 – 14 mM; EIN1 – 14 mM; H2O 90%; D2O 10%

sample_DN: N-terminal Domain of Enzyme I, [U-100% 2H; U-100% 12C; U-99% 15N], 1.4-1.5 mM; H2O 90%; D2O 10%

sample_conditions_one: pH: 7.4 na; temperature: 313.4 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_HNisotropicsample_conditions_one
2D 1H-15N HSQCsample_DNisotropicsample_conditions_one

Software:

PIPP v3.5.6 to 3.9.9, Delaglio, Zhengrong and Bax - chemical shift assignment, data analysis

nmrPipe v1.x, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

Related Database Links:

BMRB 17095
PDB
DBJ BAA16290 BAB36711 BAG78231 BAI26669 BAI31701
EMBL CAP76888 CAQ32794 CAQ88296 CAQ99314 CAR03878
GB AAA24385 AAA24441 AAC75469 AAG57535 AAN43978
REF NP_288978 NP_311315 NP_416911 NP_708271 NP_754833
SP P08839
AlphaFold P08839 P08839

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