BMRB Entry 19813

Name: Solution structure of BmKTX-D19K/K6D
Published: 2015-02-23

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PDB ID: 2mld
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19813
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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:

Solution structure of BmKTX-D19K/K6D

Deposition date:

2014-02-24

Original release date:

2015-02-23

Authors:

Hong, Jing; Lin, Donghai; Chen, Zongyun; Wu, Yingliang

Citation:

Citation: Hong, Jing; Lin, Donghai; Chen, Zongyun; Wu, Yingliang. "Solution structure of BmKTX-D19K/K6D" .

Assembly members:

Assembly members:
entity, polymer, 37 residues, 3977.839 Da.

Natural source:

Natural source: Common Name: Manchurian scorpion Taxonomy ID: 34649 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mesobuthus martensii

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-6p-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: VGINVDCKHSGQCLKPCKKA GMRFGKCINGKCDCTPK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	240

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 37 residues - 3977.839 Da.

1

VAL

GLY

ILE

ASN

VAL

ASP

CYS

LYS

HIS

SER

2

GLY

GLN

CYS

LEU

LYS

PRO

CYS

LYS

ALA

3

GLY

MET

ARG

PHE

GLY

LYS

CYS

ILE

ASN

GLY

4

LYS

CYS

ASP

CYS

THR

PRO

LYS

Samples:

sample_1: entity 2 mM; D2O, [U-99% 2H], 10%; H2O 90%; potassium phosphate 25 mM

sample_conditions_1: ionic strength: 0.025 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

ARIA, Linge, O'Donoghue and Nilges - chemical shift assignment

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

SPARKY, Goddard - peak picking

ProcheckNMR, Laskowski and MacArthur - data analysis

NMR spectrometers:

Bruker AMX 600 MHz