BMRB Entry 19637

Name: NMR solution Structure of the E.coli Outer Membrane Protein W
Published: 2014-08-04

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PDB ID: 2mhl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19637
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR solution Structure of the E.coli Outer Membrane Protein W

Deposition date:

2013-11-26

Original release date:

2014-08-04

Authors:

Horst, R.; Stanczak, P.; Wuthrich, K

Citation:

Citation: Horst, Reto; Stanczak, Pawel; Wuthrich, Kurt. "NMR polypeptide backbone conformation of the E. coli outer membrane protein W." Structure 22, 1204-1209 (2014).
PubMed: 25017731

Assembly members:

Assembly members:
Outer_Membrane_Protein_W, polymer, 192 residues, 21002.574 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Outer_Membrane_Protein_W: MHEAGEFFMRAGSATVRPTE GAGGTLGSLGGFSVTNNTQL GLTFTYMATDNIGVELLAAT PFRHKIGTRATGDIATVHHL PPTLMAQWYFGDASSKFRPY VGAGINYTTFFDNGFNDHGK EAGLSDLSLKDSWGAAGQVG VDYLINRDWLVNMSVWYMDI DTTANYKLGGAQQHDSVRLD PWVFMFSAGYRF

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	177
13C chemical shifts	470
15N chemical shifts	177

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Outer Membrane Protein X from E. coli	1

Entities:

Entity 1, Outer Membrane Protein X from E. coli 192 residues - 21002.574 Da.

1

MET

HIS

GLU

ALA

GLY

GLU

PHE

MET

ARG

2

ALA

GLY

SER

ALA

THR

VAL

ARG

PRO

THR

GLU

3

GLY

ALA

GLY

THR

LEU

GLY

SER

LEU

GLY

4

GLY

PHE

SER

VAL

THR

ASN

THR

GLN

LEU

5

GLY

LEU

THR

PHE

THR

TYR

MET

ALA

THR

ASP

6

ASN

ILE

GLY

VAL

GLU

LEU

ALA

THR

7

PRO

PHE

ARG

HIS

LYS

ILE

GLY

THR

ARG

ALA

8

THR

GLY

ASP

ILE

ALA

THR

VAL

HIS

LEU

9

PRO

THR

LEU

MET

ALA

GLN

TRP

TYR

PHE

10

GLY

ASP

ALA

SER

LYS

PHE

ARG

PRO

TYR

11

VAL

GLY

ALA

GLY

ILE

ASN

TYR

THR

PHE

12

PHE

ASP

ASN

GLY

PHE

ASN

ASP

HIS

GLY

LYS

13

GLU

ALA

GLY

LEU

SER

ASP

LEU

SER

LEU

LYS

14

ASP

SER

TRP

GLY

ALA

GLY

GLN

VAL

GLY

15

VAL

ASP

TYR

LEU

ILE

ASN

ARG

ASP

TRP

LEU

16

VAL

ASN

MET

SER

VAL

TRP

TYR

MET

ASP

ILE

17

ASP

THR

ALA

ASN

TYR

LYS

LEU

GLY

18

ALA

GLN

HIS

ASP

SER

VAL

ARG

LEU

ASP

19

PRO

TRP

VAL

PHE

MET

PHE

SER

ALA

GLY

TYR

20

ARG

PHE

Samples:

sample_1: Outer Membrane Protein W, [U-13C; U-15N; U-2H], 1.2 mM; H2O 90%; D2O 10%; Sodium Chloride 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 6.8; pressure: 1 bar; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY/HNCA/HNCACB	sample_1	isotropic	sample_conditions_1
HNCO/HNCOCA/HNCACO	sample_1	isotropic	sample_conditions_1

Software:

CYANA, G??ntert P. - refinement

NMR spectrometers:

Bruker AVANCE 600 MHz
Bruker Avance 800 MHz

PDB	2F1T 2F1V 2MHL
DBJ	BAA14788 BAG66417 BAG76829 BAJ43052 BAL38320
EMBL	CAA31922 CAP75801 CAQ31757 CAQ98135 CAR12762
GB	AAB60065 AAB60073 AAB60081 AAB60089 AAB60097
REF	NP_415772 NP_707165 WP_000737220 WP_000737221 WP_000737222
SP	P0A915 P0A916
AlphaFold	P0A915 P0A916