BMRB Entry 19319

Name: Solution structure of RasGRP2 EF hands bound to calcium
Published: 2013-08-26

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PDB ID: 2ma2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19319
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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:

Solution structure of RasGRP2 EF hands bound to calcium

Deposition date:

2013-06-24

Original release date:

2013-08-26

Authors:

Kuriyan, John; Iwig, Jeffrey; Vercoulen, Yvonne; Das, Rahul; Barros, Tiago; Limnander, Andre; Che, Yan; Pelton, Jeffrey; Wemmer, David; Roose, Jeroen

Citation:

Citation: Iwig, Jeffrey; Vercoulen, Yvonne; Das, Rahul; Barros, Tiago; Limnander, Andre; Che, Yan; Pelton, Jeffrey; Wemmer, David; Roose, Jeroen; Kuriyan, John. "Structural analysis of autoinhibition in the Ras-specific exchange factor RasGRP1" eLife 2, e00813-e00813 (2013).
PubMed: 23908768

Assembly members:

Assembly members:
RasGRP2, polymer, 81 residues, 18412.633 Da.
CALCIUM ION, non-polymer, 40.078 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: pSMT3

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RasGRP2: KLDQALVVEHIEKMVESVFR NFDVDGDGHISQEEFQIIRG NFPYLSAFGDLDQNQDGCIS REEMVSYFLRSSSVLGGRMG F

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	304
15N chemical shifts	77
1H chemical shifts	386

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RasGRP2 EF hands	1
2	calcium ion	2

Entities:

Entity 1, RasGRP2 EF hands 81 residues - 18412.633 Da.

1

LYS

LEU

ASP

GLN

ALA

LEU

VAL

GLU

HIS

2

ILE

GLU

LYS

MET

VAL

GLU

SER

VAL

PHE

ARG

3

ASN

PHE

ASP

VAL

ASP

GLY

ASP

GLY

HIS

ILE

4

SER

GLN

GLU

PHE

GLN

ILE

ARG

GLY

5

ASN

PHE

PRO

TYR

LEU

SER

ALA

PHE

GLY

ASP

6

LEU

ASP

GLN

ASN

GLN

ASP

GLY

CYS

ILE

SER

7

ARG

GLU

MET

VAL

SER

TYR

PHE

LEU

ARG

8

SER

VAL

LEU

GLY

ARG

MET

GLY

9

PHE

Entity 2, calcium ion - Ca - 40.078 Da.

1

CA

Samples:

sample_1: RasGRP2, [U-99% 13C; U-99% 15N], 500 uM; HEPES 25 mM; sodium chloride 100 mM; TCEP 1 mM; D2O 7%; H2O 93%

sample_2: RasGRP2, [U-99% 13C; U-99% 15N], 500 uM; HEPES 25 mM; sodium chloride 100 mM; TCEP 1 mM; D2O 7%; H2O 93%; Pf1 phage 17 mg/mL

sample_conditions_1: ionic strength: 0.125 M; pH: 7.0; pressure: 1 atm; temperature: 304 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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 C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC IPAP	sample_2	anisotropic	sample_conditions_1
2D HN(CO)CA IPAP	sample_2	anisotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N HSQC NOE 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

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

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

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

ProcheckNMR, Laskowski and MacArthur - data analysis

PALES, Zweckstetter M & Bax A - data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

Bruker Avance 800 MHz

PDB	2MA2
DBJ	BAC28797 BAG37199 BAG52620 BAG53672 BAJ21074
EMBL	CAA73005 CAA73008
GB	AAC79697 AAC79698 AAD12741 AAD12742 AAF07219
REF	NP_001076446 NP_001092140 NP_001092141 NP_001162561 NP_001164963
SP	P0C643 Q7LDG7 Q9QUG9
AlphaFold	P0C643 Q7LDG7 Q9QUG9