BMRB Entry 30159

Name: Solution-state NMR and SAXS structural ensemble of NPr (1-85) in complex with EIN-Ntr (170-424)
Published: 2016-11-14

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PDB ID: 5t1o
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30159
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution-state NMR and SAXS structural ensemble of NPr (1-85) in complex with EIN-Ntr (170-424) PubMed: 27839951

Deposition date: 2016-08-19 Original release date: 2016-11-14

Authors: Strickland, M.; Stanley, A.; Wang, G.; Schwieters, C.; Buchanan, S.; Peterkofsky, A.; Tjandra, N.

Citation: Strickland, Madeleine; Stanley, Ann Marie; Wang, Guangshun; Botos, Istvan; Schwieters, Charles; Buchanan, Susan; Peterkofsky, Alan; Tjandra, Nico. "Structure of the NPr:EINNtr Complex: Mechanism for Specificity in Paralogous Phosphotransferase Systems" Structure 24, 2127-2137 (2016).

Assembly members:
entity_1, polymer, 85 residues, 9254.570 Da.
entity_2, polymer, 256 residues, 28380.070 Da.

Natural source: Common Name: E. coli Taxonomy ID: 83334 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
entity_1: MTVKQTVEITNKLGMHARPA MKLFELMQGFDAEVLLRNDE GTEAEANSVIALLMLDSAKG RQIEVEATGPQEEEALAAVI ALFNS
entity_2: GRIRALPAAPGVAIAEGWQD ATLPLMEQVYQASTLDPALE RERLTGALEEAANEFRRYSK RFAAGAQKETAAIFDLYSHL LSDTRLRRELFAEVDKGSVA EWAVKTVIEKFAEQFAALSD NYLKERAGDLRALGQRLLFH LDDANQGPNAWPERFILVAD ELSATTLAELPQDRLVGVVV RDGAANSQAAIMVRALGIPT VMGADIQPSVLHRRTLIVDG YRGELLVDPEPVLLQEYQRL ISEEIELSRLAEDDVN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	821
15N chemical shifts	285
1H chemical shifts	285

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	2

Samples:

sample_1: EDTA 0.5 mM; EIN-Ntr, [U-13C; U-15N; U-2H], 200 uM; NPr, [U-2H], 240 uM; TRIS 10 mM; sodium chloride 100 mM

sample_2: EDTA 0.5 mM; EIN-Ntr, [U-2H], 240 uM; NPr, [U-13C; U-15N; U-2H], 200 uM; TRIS 10 mM; sodium chloride 100 mM

sample_3: EDTA 0.5 mM; EIN-Ntr, [U-13C; U-15N; U-2H], 200 uM; NPr, [U-2H], 240 uM; Pf1 phage 10 mg/mL; TRIS 10 mM; sodium chloride 100 mM

sample_4: EDTA 0.5 mM; EIN-Ntr, [U-2H], 240 uM; NPr, [U-13C; U-15N; U-2H], 200 uM; Pf1 phage 10 mg/mL; TRIS 10 mM; sodium chloride 100 mM

sample_5: EDTA 0.5 mM; EIN-Ntr, [U-13C; U-15N; U-2H], 200 uM; TRIS 10 mM; sodium chloride 100 mM

sample_6: EDTA, na, 0.5 mM; NPr, [U-13C; U-15N; U-2H], 200 uM; TRIS 10 mM; sodium chloride 100 mM

sample_7: EDTA 0.5 mM; EIN-Ntr, [U-13C; U-15N; U-2H], 100 uM; NPr, [U-2H], 100 uM; TRIS 10 mM; sodium chloride 100 mM

sample_8: EDTA 0.5 mM; EIN-Ntr, [U-15N; U-2H], 200 uM; NPr, [U-2H], 240 uM; TRIS 10 mM; sodium chloride 100 mM

sample_9: EDTA 0.5 mM; EIN-Ntr, [U-15N; U-2H], 200 uM; NPr, [U-2H], 240 uM; TRIS 10 mM; sodium chloride 100 mM

sample_10: EDTA 0.5 mM; EIN-Ntr, [U-2H], 240 uM; NPr, [U-2H; U-15N], 200 uM; TRIS 10 mM; sodium chloride 100 mM

sample_11: EDTA 0.5 mM; EIN-Ntr, [U-2H], 240 uM; NPr, [U-2H; U-15N], 200 uM; TRIS 10 mM; sodium chloride 100 mM

sample_conditions_1: ionic strength: 108 mM; pH: 7.5; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HN(CO)CACB TROSY	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO TROSY	sample_1	isotropic	sample_conditions_1
3D HNCACB TROSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY TROSY	sample_1	isotropic	sample_conditions_1
3D HNCO TROSY	sample_1	isotropic	sample_conditions_1
3D HNCA TROSY	sample_1	isotropic	sample_conditions_1
3D HNCA TROSY	sample_5	isotropic	sample_conditions_1
3D 1H-15N NOESY TROSY	sample_2	isotropic	sample_conditions_1
3D HN(CO)CACB TROSY	sample_2	isotropic	sample_conditions_1
3D HNCACB TROSY	sample_2	isotropic	sample_conditions_1
3D HNCA TROSY	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_6	isotropic	sample_conditions_1
ARTSY	sample_1	isotropic	sample_conditions_1
ARTSY	sample_2	isotropic	sample_conditions_1
ARTSY	sample_3	anisotropic	sample_conditions_1
ARTSY	sample_4	anisotropic	sample_conditions_1
2D 1H-15N HSQC TROSY	sample_8	anisotropic	sample_conditions_1
2D 1H-15N HSQC TROSY	sample_9	isotropic	sample_conditions_1
2D 1H-15N HSQC TROSY	sample_10	anisotropic	sample_conditions_1
2D 1H-15N HSQC TROSY	sample_11	isotropic	sample_conditions_1

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Biological Magnetic Resonance Data Bank

BMRB Entry 30159

Title: Solution-state NMR and SAXS structural ensemble of NPr (1-85) in complex with EIN-Ntr (170-424) PubMed: 27839951

Additional metadata:

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Samples:

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