BMRB Entry 25454

Name: Solution structure of a bacterial chaperone
Published: 2016-01-04

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PDB ID: 2myj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25454
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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 a bacterial chaperone PubMed: 26593705

Deposition date: 2015-01-27 Original release date: 2016-01-04

Authors: Jin, Changwen; Hu, Yunfei; Ding, Jienv

Citation: Ding, Jienv; Yang, Chengfeng; Niu, Xiaogang; Hu, Yunfei; Jin, Changwen. "HdeB chaperone activity is coupled to its intrinsic dynamic properties" Sci. Rep. 5, 16856-16856 (2015).

Assembly members:
entity, polymer, 79 residues, 9074.292 Da.

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

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

Entity Sequences (FASTA):
entity: ANESAKDMTCQEFIDLNPKA MTPVAWWMLHEETVYKGGDT VTLNETDLTQIPKVIEYCKK NPQKNLYTFKNQASNDLPN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	337
15N chemical shifts	86
1H chemical shifts	524

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	1

Entities:

Entity 1, entity_1 79 residues - 9074.292 Da.

1

ALA

ASN

GLU

SER

ALA

LYS

ASP

MET

THR

CYS

2

GLN

GLU

PHE

ILE

ASP

LEU

ASN

PRO

LYS

ALA

3

MET

THR

PRO

VAL

ALA

TRP

MET

LEU

HIS

4

GLU

THR

VAL

TYR

LYS

GLY

ASP

THR

5

VAL

THR

LEU

ASN

GLU

THR

ASP

LEU

THR

GLN

6

ILE

PRO

LYS

VAL

ILE

GLU

TYR

CYS

LYS

7

ASN

PRO

GLN

LYS

ASN

LEU

TYR

THR

PHE

LYS

8

ASN

GLN

ALA

SER

ASN

ASP

LEU

PRO

ASN

Samples:

sample_1: entity_1, [U-13C; U-15N], 2 – 3 mM; entity_2, [U-13C; U-15N], 2 – 3 mM; sodium phosphate 50 mM; citric acid 45 mM; D2O 10%; H2O 90%

sample_2: entity_1, [U-15N], 1 – 2 mM; entity_2, [U-15N], 1 – 2 mM; sodium phosphate 50 mM; citric acid 45 mM; D2O 10%; H2O 90%

sample_conditions_1: ionic strength: 0.17 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	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 HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 700 MHz
Bruker Avance 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts