BMRB Entry 52002

Name: Backbone Resonance Assignments of Human GMPPNP-bound KRAS4a Isoform
Published: 2023-08-16

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52002

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Backbone Resonance Assignments of Human GMPPNP-bound KRAS4a Isoform

Deposition date:

2023-06-15

Original release date:

2023-08-16

Authors:

Cornilescu, Gabriel

Citation:

Citation: Whitley, Matthew; Tran, Timothy; Rigby, Megan; Yi, Ming; Dharmaiah, Srisathiyanarayanan; Waybright, Timothy; Ramakrishnan, Nitya; Perkins, Shelley; Taylor, Troy; Messing, Simon; Esposito, Dominic; Nissley, Dwight; McCormick, Frank; Stephen, Andrew; Turbyville, Thomas; Cornilescu, Gabriel; Simanshu, Dhirendra. "Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties" Sci. Adv. 10, eadj4137-eadj4137 (2024).
PubMed: 38354232

Assembly members:

Assembly members:
entity_1, polymer, 169 residues, Formula weight is not available
entity_GNP, non-polymer, 522.196 Da.
entity_MG, 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: KRAS4B

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MTEYKLVVVGAGGVGKSALT IQLIQNHFVDEYDPTIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHHYREQI KRVKDSEDVPMVLVGNKCDL PSRTVDTKQAQDLARSYGIP FIETSAKTRQRVEDAFYTLV REIRQYRLK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	116
15N chemical shifts	114
1H chemical shifts	114

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	KRAS4a(1-169)	1
2	GppNHp	2
3	Magnesium ion	3

Entities:

Entity 1, KRAS4a(1-169) 169 residues - Formula weight is not available

1

MET

THR

GLU

TYR

LYS

LEU

VAL

GLY

2

ALA

GLY

VAL

GLY

LYS

SER

ALA

LEU

THR

3

ILE

GLN

LEU

ILE

GLN

ASN

HIS

PHE

VAL

ASP

4

GLU

TYR

ASP

PRO

THR

ILE

GLU

ASP

SER

TYR

5

ARG

LYS

GLN

VAL

ILE

ASP

GLY

GLU

THR

6

CYS

LEU

ASP

ILE

LEU

ASP

THR

ALA

GLY

7

GLN

GLU

TYR

SER

ALA

MET

ARG

ASP

GLN

8

TYR

MET

ARG

THR

GLY

GLU

GLY

PHE

LEU

CYS

9

VAL

PHE

ALA

ILE

ASN

THR

LYS

SER

PHE

10

GLU

ASP

ILE

HIS

TYR

ARG

GLU

GLN

ILE

11

LYS

ARG

VAL

LYS

ASP

SER

GLU

ASP

VAL

PRO

12

MET

VAL

LEU

VAL

GLY

ASN

LYS

CYS

ASP

LEU

13

PRO

SER

ARG

THR

VAL

ASP

THR

LYS

GLN

ALA

14

GLN

ASP

LEU

ALA

ARG

SER

TYR

GLY

ILE

PRO

15

PHE

ILE

GLU

THR

SER

ALA

LYS

THR

ARG

GLN

16

ARG

VAL

GLU

ASP

ALA

PHE

TYR

THR

LEU

VAL

17

ARG

GLU

ILE

ARG

GLN

TYR

ARG

LEU

LYS

Entity 2, GppNHp - C10 H17 N6 O13 P3 - 522.196 Da.

1

GNP

Entity 3, Magnesium ion - Mg - 24.305 Da.

1

MG

Samples:

sample_1: KRAS4a(1-169), [U-99% 13C; U-99% 15N], 0.42 ± .05 mM; GNP 0.8 ± .05 mM; Magnesium ion 0.8 ± .05 mM; Hepes 20 mM; NaCl 150 mM; TCEP 1 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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 C(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY - chemical shift assignment

NMRPipe - processing

NMR spectrometers:

Bruker AVANCE NEO 700 MHz

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