BMRB Entry 51197

Name: 1H, 15N Backbone Assignments of Rec3 from GeoCas9
Published: 2024-07-22

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51197

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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:

1H, 15N Backbone Assignments of Rec3 from GeoCas9

Deposition date:

2021-11-29

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, 212 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: KEKRAPKATYTFQSFIAWEH INKLRLISPSGARGLTDEER RLLYEQAFQKNKITYHDIRT LLHLPDDTYFKGIVYDRGES RKQNENIRFLELDAYHQIRK AVDKVYGKGKSSSFLPIDFD TFGYALTLFKDDADIHSYLR NEYEQNGKRMPNLANKVYDN ELIEELLNLSFTKFGHLSLK ALRSILPYMEQGEVYSSACE RAGYTFTGPKKK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	323
15N chemical shifts	122
1H chemical shifts	122

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Rec3	1

Entities:

Entity 1, Rec3 212 residues - Formula weight is not available

1

LYS

GLU

LYS

ARG

ALA

PRO

LYS

ALA

THR

TYR

2

THR

PHE

GLN

SER

PHE

ILE

ALA

TRP

GLU

HIS

3

ILE

ASN

LYS

LEU

ARG

LEU

ILE

SER

PRO

SER

4

GLY

ALA

ARG

GLY

LEU

THR

ASP

GLU

ARG

5

ARG

LEU

TYR

GLU

GLN

ALA

PHE

GLN

LYS

6

ASN

LYS

ILE

THR

TYR

HIS

ASP

ILE

ARG

THR

7

LEU

HIS

LEU

PRO

ASP

THR

TYR

PHE

8

LYS

GLY

ILE

VAL

TYR

ASP

ARG

GLY

GLU

SER

9

ARG

LYS

GLN

ASN

GLU

ASN

ILE

ARG

PHE

LEU

10

GLU

LEU

ASP

ALA

TYR

HIS

GLN

ILE

ARG

LYS

11

ALA

VAL

ASP

LYS

VAL

TYR

GLY

LYS

GLY

LYS

12

SER

PHE

LEU

PRO

ILE

ASP

PHE

ASP

13

THR

PHE

GLY

TYR

ALA

LEU

THR

LEU

PHE

LYS

14

ASP

ALA

ASP

ILE

HIS

SER

TYR

LEU

ARG

15

ASN

GLU

TYR

GLU

GLN

ASN

GLY

LYS

ARG

MET

16

PRO

ASN

LEU

ALA

ASN

LYS

VAL

TYR

ASP

ASN

17

GLU

LEU

ILE

GLU

LEU

ASN

LEU

SER

18

PHE

THR

LYS

PHE

GLY

HIS

LEU

SER

LEU

LYS

19

ALA

LEU

ARG

SER

ILE

LEU

PRO

TYR

MET

GLU

20

GLN

GLY

GLU

VAL

TYR

SER

ALA

CYS

GLU

21

ARG

ALA

GLY

TYR

THR

PHE

THR

GLY

PRO

LYS

22

LYS

Samples:

sample_1: Rec3, [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: 7.5; pressure: 1 atm; 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:

CARA - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz
Bruker AVANCE III 850 MHz

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