BMRB Entry 26787

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for human RIT1
Published: 2016-09-02

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26787

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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:

Backbone 1H, 13C, and 15N Chemical Shift Assignments for human RIT1

Deposition date:

2016-04-25

Original release date:

2016-09-02

Authors:

Fang, Zhenhao; Marshall, Christopher; Yin, Jiani; Mazhab-Jafari, Mohammad; Gasmi-Seabrook, Genevieve; Smith, Matthew; Nishikawa, Tadateru; Xu, Yang; Neel, Benjamin; Ikura, Mitsuhiko

Citation:

Citation: Fang, Zhenhao; Marshall, Christopher; Yin, Jiani; Mazhab-Jafari, Mohammad; Gasmi-Seabrook, Genevieve; Smith, Matthew; Xu, Yang; Neel, Benjamin; Ikura, Mitsuhiko. "Biochemical Classification of Disease-associated Mutants of RAS-like Protein Expressed in Many Tissues (RIT1)" J. Biol. Chem. 291, 15641-15652 (2016).
PubMed: 27226556

Assembly members:

Assembly members:
RIT1, polymer, 179 residues, 20705.59 Da.
GUANOSINE-5'-DIPHOSPHATE, non-polymer, 443.201 Da.
MAGNESIUM ION, non-polymer, 24.305 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: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RIT1: GSHMGLSREYKLVMLGAGGV GKSAMTMQFISHRFPEDHDP TIEDAYKIRIRIDDEPANLD ILDTAGQAEFTAMRDQYMRA GEGFIICYSITDRRSFHEVR EFKQLIYRVRRTDDTPVVLV GNKSDLKQLRQVTKEEGLAL AREFSCPFFETSAAYRYYID DVFHALVREIRRKEKEAVL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	418
15N chemical shifts	128
1H chemical shifts	128

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RIT1	1
2	GDP	2
3	MG	3

Entities:

Entity 1, RIT1 179 residues - 20705.59 Da.

Residues 13-16 represent a vector derived sequence. Residues 17-191 is RIT1 sequence that contains G domain.

1

GLY

SER

HIS

MET

GLY

LEU

SER

ARG

GLU

TYR

2

LYS

LEU

VAL

MET

LEU

GLY

ALA

GLY

VAL

3

GLY

LYS

SER

ALA

MET

THR

MET

GLN

PHE

ILE

4

SER

HIS

ARG

PHE

PRO

GLU

ASP

HIS

ASP

PRO

5

THR

ILE

GLU

ASP

ALA

TYR

LYS

ILE

ARG

ILE

6

ARG

ILE

ASP

GLU

PRO

ALA

ASN

LEU

ASP

7

ILE

LEU

ASP

THR

ALA

GLY

GLN

ALA

GLU

PHE

8

THR

ALA

MET

ARG

ASP

GLN

TYR

MET

ARG

ALA

9

GLY

GLU

GLY

PHE

ILE

CYS

TYR

SER

ILE

10

THR

ASP

ARG

SER

PHE

HIS

GLU

VAL

ARG

11

GLU

PHE

LYS

GLN

LEU

ILE

TYR

ARG

VAL

ARG

12

ARG

THR

ASP

THR

PRO

VAL

LEU

VAL

13

GLY

ASN

LYS

SER

ASP

LEU

LYS

GLN

LEU

ARG

14

GLN

VAL

THR

LYS

GLU

GLY

LEU

ALA

LEU

15

ALA

ARG

GLU

PHE

SER

CYS

PRO

PHE

GLU

16

THR

SER

ALA

TYR

ARG

TYR

ILE

ASP

17

ASP

VAL

PHE

HIS

ALA

LEU

VAL

ARG

GLU

ILE

18

ARG

LYS

GLU

LYS

GLU

ALA

VAL

LEU

Entity 2, GDP - C10 H15 N5 O11 P2 - 443.201 Da.

1

GDP

Entity 3, MG - Mg - 24.305 Da.

1

MG

Samples:

sample_1: RIT1, [U-100% 13C; U-100% 15N], 0.8 mM; GUANOSINE-5'-DIPHOSPHATE 4 mM; MAGNESIUM ION 5 mM; H2O 90%; D2O 10%

condition_1: ionic strength: 0.465 M; pH: 8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	condition_1
3D CBCA(CO)NH	sample_1	isotropic	condition_1
3D HNCACB	sample_1	isotropic	condition_1
3D HNCO	sample_1	isotropic	condition_1
3D HN(CA)CO	sample_1	isotropic	condition_1

Software:

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMR spectrometers:

Bruker Avance 800 MHz

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