BMRB Entry 34608

Name: Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane targeting motifs
Published: 2021-09-17

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PDB ID: 7nqc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34608
MolProbity Validation Chart

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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:

Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane targeting motifs

Deposition date:

2021-03-01

Original release date:

2021-09-17

Authors:

Chamberlain, S.; Owen, D.; Mott, H.

Citation:

Citation: Chamberlain, S.; Gohlke, A.; Shafiq, A.; Squires, I.; Owen, D.; Mott, H.. "Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane-targeting motifs" Proc. Natl. Acad. Sci. U. S. A. 118, e2104219118-e2104219118 (2021).
PubMed: 34480001

Assembly members:

Assembly members:
entity_1, polymer, 165 residues, 18572.418 Da.
entity_2, polymer, 18 residues, 2177.687 Da.
entity_CA, non-polymer, 40.078 Da.
entity_ULW, non-polymer, 377.518 Da.

Natural source:

Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3) Vector: pQE

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MRGSHHHHHHGSMADQLTEE QIAEFKEAFSLFDKDGDGTI TTKELGTVMRSLGQNPTEAE LQDMINEVDADGNGTIDFPE FLTMMARKMKDTDSEEEIRE AFRVFDKDGNGYISAAELRH VMTNLGEKLTDEEVDEMIRE ADIDGDGQVNYEEFVQMMTA KGGSL
entity_2: PNGKKKRKSLAKRIRERC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	524
15N chemical shifts	140
1H chemical shifts	1087

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	2
3	unit_3	3
4	unit_4	3
5	unit_5	3
6	unit_6	3
7	unit_7	4

Entities:

Entity 1, unit_1 165 residues - 18572.418 Da.

1

MET

ARG

GLY

SER

HIS

2

GLY

SER

MET

ALA

ASP

GLN

LEU

THR

GLU

3

GLN

ILE

ALA

GLU

PHE

LYS

GLU

ALA

PHE

SER

4

LEU

PHE

ASP

LYS

ASP

GLY

ASP

GLY

THR

ILE

5

THR

LYS

GLU

LEU

GLY

THR

VAL

MET

ARG

6

SER

LEU

GLY

GLN

ASN

PRO

THR

GLU

ALA

GLU

7

LEU

GLN

ASP

MET

ILE

ASN

GLU

VAL

ASP

ALA

8

ASP

GLY

ASN

GLY

THR

ILE

ASP

PHE

PRO

GLU

9

PHE

LEU

THR

MET

ALA

ARG

LYS

MET

LYS

10

ASP

THR

ASP

SER

GLU

ILE

ARG

GLU

11

ALA

PHE

ARG

VAL

PHE

ASP

LYS

ASP

GLY

ASN

12

GLY

TYR

ILE

SER

ALA

GLU

LEU

ARG

HIS

13

VAL

MET

THR

ASN

LEU

GLY

GLU

LYS

LEU

THR

14

ASP

GLU

VAL

ASP

GLU

MET

ILE

ARG

GLU

15

ALA

ASP

ILE

ASP

GLY

ASP

GLY

GLN

VAL

ASN

16

TYR

GLU

PHE

VAL

GLN

MET

THR

ALA

17

LYS

GLY

SER

LEU

Entity 2, unit_2 18 residues - 2177.687 Da.

1

PRO

ASN

GLY

LYS

ARG

LYS

SER

LEU

2

ALA

LYS

ARG

ILE

ARG

GLU

ARG

CYS

Entity 3, unit_3 - Ca - 40.078 Da.

1

CA

Entity 4, unit_7 - 377.518 Da.

1

ULW

Samples:

sample_1: Calmodulin, [U-15N], 0.8 mM; RalA HVR 0.8 mM; NaCl 100 mM; CaCl2 8 mM; MgCl2 1 mM

sample_2: Calmodulin, [U-15N; U-13C], 1.1 mM; RalA HVR 1.1 mM; NaCl 100 mM; CaCl2 8 mM; MgCl2 1 mM

sample_3: Calmodulin 1.0 mM; RalA HVR, [U-15N; U-13C], 1.0 mM; NaCl 100 mM; CaCl2 8 mM; MgCl2 1 mM

sample_conditions_1: ionic strength: 109 mM; pH: 6.7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D 13C Filtered, 13C Edited NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_1
3D 13C Filtered, 13C Edited NOESY	sample_3	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_2	isotropic	sample_conditions_1

Software:

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

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE 800 MHz
Bruker AVANCE 950 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks