BMRB Entry 30543

Name: NMR solution structure of the homodimeric, autoinhibited state of the CARD9 CARD and first coiled-coil
Published: 2019-07-12

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PDB ID: 6n2m
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30543
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR solution structure of the homodimeric, autoinhibited state of the CARD9 CARD and first coiled-coil

Deposition date:

2018-11-13

Original release date:

2019-07-12

Authors:

Holliday, M.; Fairbrother, W.; Dueber, E.

Citation:

Citation: Holliday, M.; Witt, A.; Rodriguez Gama, A.; Walters, B.; Arthur, C.; Halfmann, R.; Rohou, A.; Dueber, E.; Fairbrother, W.. "Structures of autoinhibited and polymerized forms of CARD9 reveal mechanisms of CARD9 and CARD11 activation" Nat. Commun. 10, 3070-3070 (2019).
PubMed: 31296852

Assembly members:

Assembly members:
entity_1, polymer, 142 residues, 16116.458 Da.
entity_ZN, non-polymer, 65.409 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 BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSDYENDDECWSVLEGFRVT LTSVIDPSRITPYLRQCKVL NPDDEEQVLSDPNLVIRKRK VGVLLDILQRTGHKGYVAFL ESLELYYPQLYKKVTGKEPA RVFSMIIDASGESGLTQLLM TEVMKLQKKVQDLTALLSSK DD

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2
spectral_peak_list

Data type	Count
13C chemical shifts	1038
15N chemical shifts	270
1H chemical shifts	1149

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1, 1	1
2	entity_1, 2	1
3	entity_2, 1	2
4	entity_2, 2	2

Entities:

Entity 1, entity_1, 1 142 residues - 16116.458 Da.

1

GLY

SER

ASP

TYR

GLU

ASN

ASP

GLU

CYS

2

TRP

SER

VAL

LEU

GLU

GLY

PHE

ARG

VAL

THR

3

LEU

THR

SER

VAL

ILE

ASP

PRO

SER

ARG

ILE

4

THR

PRO

TYR

LEU

ARG

GLN

CYS

LYS

VAL

LEU

5

ASN

PRO

ASP

GLU

GLN

VAL

LEU

SER

6

ASP

PRO

ASN

LEU

VAL

ILE

ARG

LYS

ARG

LYS

7

VAL

GLY

VAL

LEU

ASP

ILE

LEU

GLN

ARG

8

THR

GLY

HIS

LYS

GLY

TYR

VAL

ALA

PHE

LEU

9

GLU

SER

LEU

GLU

LEU

TYR

PRO

GLN

LEU

10

TYR

LYS

VAL

THR

GLY

LYS

GLU

PRO

ALA

11

ARG

VAL

PHE

SER

MET

ILE

ASP

ALA

SER

12

GLY

GLU

SER

GLY

LEU

THR

GLN

LEU

MET

13

THR

GLU

VAL

MET

LYS

LEU

GLN

LYS

VAL

14

GLN

ASP

LEU

THR

ALA

LEU

SER

LYS

15

ASP

Entity 2, entity_2, 1 - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: CARD9_2-142, [U-13C; U-15N], 1 mM; Zinc 1 mM; HEPES 50 mM; NaCl 300 mM; TCEP 0.5 mM

sample_2: CARD9_2-142, [U-13C; U-15N], 1 mM; Zinc 1 mM; HEPES 50 mM; NaCl 300 mM; TCEP 0.5 mM

sample_3: CARD9_2-142, [U-13C; U-15N; U-2H], 1 mM; Zinc 1 mM; HEPES 50 mM; NaCl 300 mM; TCEP 0.5 mM

sample_4: CARD9_2-142, [U-13C; U-15N], 1 mM; Zinc 2 mM; unlabeled CARD9_2-142 1 mM; HEPES 50 mM; NaCl 300 mM; TCEP 0.5 mM

sample_5: CARD9_2-142, [U-13C; U-15N], 1 mM; Zinc 1 mM; filamentous Pf1 bacteriophage 14 mg/mL; HEPES 50 mM; NaCl 900 mM; TCEP 0.5 mM

sample_conditions_1: ionic strength: 300 mM; pH: 7.0; pressure: 1 atm; temperature: 310 K

sample_conditions_2: ionic strength: 900 mM; pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1
2D 1H-13C TROSY aromatic	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_3	isotropic	sample_conditions_1
3D HNCB	sample_3	isotropic	sample_conditions_1
3D (H)CC(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_3	isotropic	sample_conditions_1
3D HNCO	sample_3	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_3	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_3	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D HCCH-COSY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D 1H-13C interNOESY aliphatic	sample_4	isotropic	sample_conditions_1
2D IPAP 1H-15N TROSY	sample_5	anisotropic	sample_conditions_2

Software:

CNS v1.2, Brunger A. T. et.al. - refinement

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

Analysis v2.42, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 800 MHz
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