BMRB Entry 18879

Name: SP-B C-terminal (residues 59-80) peptide in DPC micelles
Published: 2013-12-16

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PDB ID: 2m1t
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18879
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

SP-B C-terminal (residues 59-80) peptide in DPC micelles

Deposition date:

2012-12-06

Original release date:

2013-12-16

Authors:

Kuznetsova, Anna; Vanni, Julieann; Long, Joanna

Citation:

Citation: Kuznetsova, Anna; Vanni, Julieann; Long, Joanna. "Solution NMR structures of the C-terminal segment of surfactant protein B (residues 59-80) in DPC detergent micelles and methanol." Biochemistry ., .-..

Assembly members:

Assembly members:
entity, polymer, 22 residues, 2500.072 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: pET31b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: DTLLGRILPQLVCRLVLRCS ID

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	24
1H chemical shifts	173

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SP-B	1

Entities:

Entity 1, SP-B 22 residues - 2500.072 Da.

there is homoserine lactone residue (HSL) at the end of the sequence after D80 that is left due to cyanogen bromide cleavage of the peptide from fusion construct at the methionines before D59 and after D80

1

ASP

THR

LEU

GLY

ARG

ILE

LEU

PRO

GLN

2

LEU

VAL

CYS

ARG

LEU

VAL

LEU

ARG

CYS

SER

3

ILE

ASP

Samples:

SP-B_residues_59-80_in_DPC_micelles: entity, [U-100% 15N], 1.2 mM; D2O, [U-100% 2H], 5%; DPC, [U-100% 2H], 80 mM; TSP 1 mM; sodium phosphate 50 mM; H2O 95%

315K: ionic strength: 130 mM; pH: 4.5; pressure: 1 atm; temperature: 315 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	SP-B_residues_59-80_in_DPC_micelles	isotropic	315K
2D 1H-1H TOCSY	SP-B_residues_59-80_in_DPC_micelles	isotropic	315K
2D 1H-1H NOESY	SP-B_residues_59-80_in_DPC_micelles	isotropic	315K
3D 1H-15N TOCSY	SP-B_residues_59-80_in_DPC_micelles	isotropic	315K
3D 1H-15N NOESY	SP-B_residues_59-80_in_DPC_micelles	isotropic	315K

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, processing

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

X-PLOR NIH v2.32, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

TOPSPIN, Bruker Biospin - collection, data analysis

MolProbity, Ian W. Davis, Vincent B. Chen, Robert M. Immormino et. al - evaluation of structure refinement, structure evaluation

NMR spectrometers:

Bruker Avance 600 MHz