BMRB Entry 18945

Name: k-Ssm1a
Published: 2014-01-13

Click here to enlarge.

PDB ID: 2m35
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18945
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

k-Ssm1a

Deposition date:

2013-01-09

Original release date:

2014-01-13

Authors:

King, Glenn; Undheim, Eivind; Mobli, Mehdi; Yang, Shilong; Rong, Mingqiang; Lai, Ren

Citation:

Citation: Undheim, Eivind; Yang, Shilong; Mobli, Mehdi; Rong, Mingqiang; Lai, Ren; King, Glenn. "NMR study of k-Ssm1a" .

Assembly members:

Assembly members:
k-Ssm1a, polymer, 52 residues, 6214.842 Da.

Natural source:

Natural source: Common Name: Centipedes Taxonomy ID: 55038 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Scolopendra subspinipes

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
k-Ssm1a: TDDESSNKCAKTKRRENVCR VCGNRSGNDEYYSECCESDY RYHRCLDLLRNF

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	209
15N chemical shifts	63
1H chemical shifts	337

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	k-Ssm1a	1

Entities:

Entity 1, k-Ssm1a 52 residues - 6214.842 Da.

1

THR

ASP

GLU

SER

ASN

LYS

CYS

ALA

2

LYS

THR

LYS

ARG

GLU

ASN

VAL

CYS

ARG

3

VAL

CYS

GLY

ASN

ARG

SER

GLY

ASN

ASP

GLU

4

TYR

SER

GLU

CYS

GLU

SER

ASP

TYR

5

ARG

TYR

HIS

ARG

CYS

LEU

ASP

LEU

ARG

6

ASN

PHE

Samples:

sample_1: ammonium acetate 20 mM; k-Ss1a, [U-13C; U-15N], 400 uM; D2O 5%; H2O 95%

sample_conditions_1: pH: 5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
4D HCC(CO)NH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

XEASY v3.2, Bartels et al. - chemical shift assignment, peak picking

TALOS vTALOS+, Cornilescu, Delaglio and Bax - chemical shift calculation, geometry optimization

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - data analysis, geometry optimization, structure solution

TOPSPIN v3.0, Bruker Biospin - collection, processing

Rowland NMR Toolkit v3.0, University of Connecticut - processing

NMR spectrometers:

Bruker Avance 900 MHz

PDB	2M35
GB	AFM55003
SP	I6RU32
AlphaFold	I6RU32