BMRB Entry 52363

Name: GeoRec1 backbone assignments
Published: 2024-07-22

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52363

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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:

GeoRec1 backbone assignments

Deposition date:

2024-03-25

Original release date:

2024-07-22

Authors:

Belato, Helen

Citation:

Citation: Belato, Helen; Knight, Alexa; D'Ordine, Alexandra; Fan, Zhiqiang; Luo, Jinping; Jogl, Gerwald; Lisi, George. "Atomistic Tuning of the GeoCas9 Recognition Lobe Modulates Allosteric Motions and Guide RNA Interactions" bioRxiv ., .-. (2024).
PubMed: 38746279

Assembly members:

Assembly members:
entity_1, polymer, 136 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Geobacillus stearothermophilus Taxonomy ID: 1422 Superkingdom: Bacteria Kingdom: not available Genus/species: Geobacillus stearothermophilus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: EEKHEIDVWQLRVEALDRKL NNDELARVLLHLAKRRGFKS NRKSERSNKENSTMLKHIEE NRAILSSYRTVGEMIVKDPK FALHKRNKGENYTNTIARDD LEREIRLIFSKQREFGNMSC TEEFENEYITIWASQR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	266
15N chemical shifts	98
1H chemical shifts	98

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GeoRec1	1

Entities:

Entity 1, GeoRec1 136 residues - Formula weight is not available

1

GLU

LYS

HIS

GLU

ILE

ASP

VAL

TRP

GLN

2

LEU

ARG

VAL

GLU

ALA

LEU

ASP

ARG

LYS

LEU

3

ASN

ASP

GLU

LEU

ALA

ARG

VAL

LEU

4

HIS

LEU

ALA

LYS

ARG

GLY

PHE

LYS

SER

5

ASN

ARG

LYS

SER

GLU

ARG

SER

ASN

LYS

GLU

6

ASN

SER

THR

MET

LEU

LYS

HIS

ILE

GLU

7

ASN

ARG

ALA

ILE

LEU

SER

TYR

ARG

THR

8

VAL

GLY

GLU

MET

ILE

VAL

LYS

ASP

PRO

LYS

9

PHE

ALA

LEU

HIS

LYS

ARG

ASN

LYS

GLY

GLU

10

ASN

TYR

THR

ASN

THR

ILE

ALA

ARG

ASP

11

LEU

GLU

ARG

GLU

ILE

ARG

LEU

ILE

PHE

SER

12

LYS

GLN

ARG

GLU

PHE

GLY

ASN

MET

SER

CYS

13

THR

GLU

PHE

GLU

ASN

GLU

TYR

ILE

THR

14

ILE

TRP

ALA

SER

GLN

ARG

Samples:

sample_1: GeoRec1 domain of GeoCas9, [U-100% 13C; U-100% 15N], 500 uM; sodium phosphate 20 mM; potassium chloride 80 mM; DTT 1 mM; EDTA 1 mM

sample_conditions_1: pH: 7.4; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

PINE - chemical shift assignment

CARA - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 600 MHz

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