BMRB Entry 19732

Name: The solution NMR structure of the NLRC5 caspase recruitment domain (CARD)
Published: 2014-05-13

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PDB ID: 2mjm
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19732
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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:

The solution NMR structure of the NLRC5 caspase recruitment domain (CARD)

Deposition date:

2014-01-12

Original release date:

2014-05-13

Authors:

Gutte, Petrus; Zerbe, Oliver

Citation:

Citation: Gutte, Petrus; Jurt, Simon; Gruetter, Markus; Zerbe, Oliver. "The solution NMR structure of the NLRC5 caspase recruitment domain (CARD) reveals unusual structural features" Biochemistry 53, 3106-3117.

Assembly members:

Assembly members:
entity, polymer, 101 residues, 11669.501 Da.

Natural source:

Natural source: Common Name: house mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GPLGSMDAESIRLNNENLWA WLVRLLSKNPEWLSAKLRSF LPTMDLDCSYEPSNPEVIHR QLNRLFAQGMATWKSFINDL CFELDVPLDMEIPLVSIWGP R

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	429
15N chemical shifts	99
1H chemical shifts	674

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NLRC5_CARD	1

Entities:

Entity 1, NLRC5_CARD 101 residues - 11669.501 Da.

1

GLY

PRO

LEU

GLY

SER

MET

ASP

ALA

GLU

SER

2

ILE

ARG

LEU

ASN

GLU

ASN

LEU

TRP

ALA

3

TRP

LEU

VAL

ARG

LEU

SER

LYS

ASN

PRO

4

GLU

TRP

LEU

SER

ALA

LYS

LEU

ARG

SER

PHE

5

LEU

PRO

THR

MET

ASP

LEU

ASP

CYS

SER

TYR

6

GLU

PRO

SER

ASN

PRO

GLU

VAL

ILE

HIS

ARG

7

GLN

LEU

ASN

ARG

LEU

PHE

ALA

GLN

GLY

MET

8

ALA

THR

TRP

LYS

SER

PHE

ILE

ASN

ASP

LEU

9

CYS

PHE

GLU

LEU

ASP

VAL

PRO

LEU

ASP

MET

10

GLU

ILE

PRO

LEU

VAL

SER

ILE

TRP

GLY

PRO

11

ARG

Samples:

sample_1: NLRC5_CARD, [U-100% 13C; U-100% 15N], 600 uM; MES 20 mM; sodium chloride 100 mM; potassium chloride 50 mM; TCEP 2 mM; H2O 95%; D2O, [U-100% 2H], 5%

sample_conditions_1: ionic strength: 0 M; pH: 6.2; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	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 HCCH-TOCSY	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
3D HNCO	sample_1	isotropic	sample_conditions_1
HB(CBCGCD)HD	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - processing

CARA v1.8.6, Keller and Wuthrich - data analysis

UNIO v10, Torsten Herrmann - peak picking, structure solution

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

CHARMM, B. R. Brooks, C. L. Brooks III, D. M. York, and M. Karplus - refinement

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 700 MHz

UNP	C3VPR6
PDB	2MJM
GB	ACP40992
REF	NP_001028379 XP_006531225 XP_006531226 XP_006531227 XP_006531228
SP	C3VPR6
AlphaFold	Q571H9 C3VPR6