BMRB Entry 19870

Name: Solution Structure of 6aJL2 Amyloidogenic Light Chain Protein
Published: 2014-06-23

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PDB ID: 2mmx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19870
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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 6aJL2 Amyloidogenic Light Chain Protein

Deposition date:

2014-03-20

Original release date:

2014-06-23

Authors:

Amero, Carlos; Maya, Robero; Gil, Paloma

Citation:

Citation: Maya, Robero; Gil, Paloma; Amero, Carlos. "Solution Structure of 6aJL2 and 6aJL2-R24G Amyloidogenic Light Chain Proteins" .

Assembly members:

Assembly members:
6aJL2, polymer, 111 residues, 11962.002 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET27

Entity Sequences (FASTA):

Entity Sequences (FASTA):
6aJL2: NFMLTQPHSVSESPGKTVTI SCTRSSGSIASNYVQWYQQR PGSSPTTVIYEDNQRPSGVP DRFSGSIDSSSNSASLTISG LKTEDEADYYCQSYDSSNHV VFGGGTKLTVL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
conformer_family_coord_set

Data type	Count
1H chemical shifts	638
15N chemical shifts	98
13C chemical shifts	384

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	6aJL2 Amyloidogenic Light Chain Protein	1

Entities:

Entity 1, 6aJL2 Amyloidogenic Light Chain Protein 111 residues - 11962.002 Da.

1

ASN

PHE

MET

LEU

THR

GLN

PRO

HIS

SER

VAL

2

SER

GLU

SER

PRO

GLY

LYS

THR

VAL

THR

ILE

3

SER

CYS

THR

ARG

SER

GLY

SER

ILE

ALA

4

SER

ASN

TYR

VAL

GLN

TRP

TYR

GLN

ARG

5

PRO

GLY

SER

PRO

THR

VAL

ILE

TYR

6

GLU

ASP

ASN

GLN

ARG

PRO

SER

GLY

VAL

PRO

7

ASP

ARG

PHE

SER

GLY

SER

ILE

ASP

SER

8

SER

ASN

SER

ALA

SER

LEU

THR

ILE

SER

GLY

9

LEU

LYS

THR

GLU

ASP

GLU

ALA

ASP

TYR

10

CYS

GLN

SER

TYR

ASP

SER

ASN

HIS

VAL

11

VAL

PHE

GLY

THR

LYS

LEU

THR

VAL

12

LEU

Samples:

sample_1: sodium phosphate 50 mM; sodium chloride 75 mM; D2O 5%; 6aJL2, [U-100% 15N], 1 mM; H2O 95%

sample_2: sodium phosphate 50 mM; sodium chloride 75 mM; D2O 5%; 6aJL2, [U-100% 13C; U-100% 15N], 1 mM; H2O 95%

sample_conditions: temperature: 298 K; pH: 7.4; pressure: 1 atm; ionic strength: 75 mM

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions
3D HNCACB	sample_2	isotropic	sample_conditions
3D HNCA	sample_2	isotropic	sample_conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions
3D HNCO	sample_2	isotropic	sample_conditions
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions
3D HCACO	sample_2	isotropic	sample_conditions

Software:

NMRView v5.2.2_01, Johnson, One Moon Scientific - peak picking

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution, refinement

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

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

CARA, Rochus L.J. Keller - chemical shift assignment

NMR spectrometers:

Varian Uniform NMR System 700 MHz

BMRB	15276 19798
PDB	2MKW 2MMX 2W0K 2W0L 3B5G 3BDX 3H0T 4RIR 4RIS 5C9K
DBJ	BAA19991 BAC01822 BAC01823 BAC01857 BAC01860
EMBL	CAA85625 CAD43014 CAJ75494 CAJ75495 CAP74492
GB	AAB33217 AAG24684 AAG24687 AAG24688 AAG24689