BMRB Entry 25293

Name: Kalata B7 Ser mutant
Published: 2015-12-21

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PDB ID: 2mw0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25293
MolProbity Validation Chart

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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:

Kalata B7 Ser mutant

Deposition date:

2014-10-22

Original release date:

2015-12-21

Authors:

Kristiansen, Per Eugen; Skjeldal, Lars; Goransson, Ulf

Citation:

Citation: Kristiansen, Per Eugen; Skjeldal, Lars; Goransson, Ulf. "Kalata B7 Ser mutant" To be Published ., .-..

Assembly members:

Assembly members:
entity, polymer, 29 residues, 3021.515 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis Host organism: not applicable

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: SWPICKRNGLPVCGETCTLG TCSTQGCTC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	70
15N chemical shifts	22
1H chemical shifts	178

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 29 residues - 3021.515 Da.

1

SER

TRP

PRO

ILE

CYS

LYS

ARG

ASN

GLY

LEU

2

PRO

VAL

CYS

GLY

GLU

THR

CYS

THR

LEU

GLY

3

THR

CYS

SER

THR

GLN

GLY

CYS

THR

CYS

Samples:

sample_1: Kalata B7 mutant 1 mM; H2O 5%; D2O, [U-100% 2H], 95%; DSS 0.2 mM

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA v2.0, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

TOPSPIN v2.4, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

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