BMRB Entry 34889

Name: Solution structure of osmoregulator OsmY from E. coli.
Published: 2024-06-24

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PDB ID: 8rjx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34889
MolProbity Validation Chart

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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:

Solution structure of osmoregulator OsmY from E. coli.

Deposition date:

2023-12-22

Original release date:

2024-06-24

Authors:

Iyer, A.; Luo, Y.; le Paige, U.; van Ingen, H.

Citation:

Citation: Iyer, A.; Frallicciardi, J.; le Paige, U.; Narasimhan, S.; Luo, Y.; Alvarez Sieiro, P.; Syga, L.; van den Brekel, F.; Minh Tran, B.; Tjoe, R.; Schuurman-Wolters, G.; Stuart, M.; Baldus, M.; van Ingen, H.; Poolman, B.. "The structure and function of the bacterial osmotically inducible protein Y" J. Mol. Biol. 436, 168668-168668 (2024).
PubMed: 38908784

Assembly members:

Assembly members:
entity_1, polymer, 182 residues, 19187.184 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ENNAQTTNESAGQKVDSSMN KVGNFMDDSAITAKVKAALV DHDNIKSTDISVKTDQKVVT LSGFVESQAQAEEAVKVAKG VEGVTSVSDKLHVRDAKEGS VKGYAGDTATTSEIKAKLLA DDIVPSRHVKVETTDGVVQL SGTVDSQAQSDRAESIAKAV DGVKSVKNDLKTKGGGHHHH HH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	463
15N chemical shifts	167
1H chemical shifts	1089

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 182 residues - 19187.184 Da.

1

GLU

ASN

ALA

GLN

THR

ASN

GLU

SER

2

ALA

GLY

GLN

LYS

VAL

ASP

SER

MET

ASN

3

LYS

VAL

GLY

ASN

PHE

MET

ASP

SER

ALA

4

ILE

THR

ALA

LYS

VAL

LYS

ALA

LEU

VAL

5

ASP

HIS

ASP

ASN

ILE

LYS

SER

THR

ASP

ILE

6

SER

VAL

LYS

THR

ASP

GLN

LYS

VAL

THR

7

LEU

SER

GLY

PHE

VAL

GLU

SER

GLN

ALA

GLN

8

ALA

GLU

ALA

VAL

LYS

VAL

ALA

LYS

GLY

9

VAL

GLU

GLY

VAL

THR

SER

VAL

SER

ASP

LYS

10

LEU

HIS

VAL

ARG

ASP

ALA

LYS

GLU

GLY

SER

11

VAL

LYS

GLY

TYR

ALA

GLY

ASP

THR

ALA

THR

12

THR

SER

GLU

ILE

LYS

ALA

LYS

LEU

ALA

13

ASP

ILE

VAL

PRO

SER

ARG

HIS

VAL

LYS

14

VAL

GLU

THR

ASP

GLY

VAL

GLN

LEU

15

SER

GLY

THR

VAL

ASP

SER

GLN

ALA

GLN

SER

16

ASP

ARG

ALA

GLU

SER

ILE

ALA

LYS

ALA

VAL

17

ASP

GLY

VAL

LYS

SER

VAL

LYS

ASN

ASP

LEU

18

LYS

THR

LYS

GLY

HIS

19

HIS

Samples:

sample_1: Osmotically-inducible protein Y (OsmY), [U-100% 13C; U-100% 15N], 0.73 mM; KPi, NA, 50 mM; NaCl, NA, 100 mM

sample_conditions_1: ionic strength: 100 Not defined; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY, Lee, W. - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Bruker AVANCE III HD 900 MHz
Bruker AVANCE III 600 MHz

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