Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53469

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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:

EcMscL G22S 1H detected

Deposition date:

2025-12-08

Original release date:

2026-09-01

Authors:

Kovinko, Alexandra; Shi, Chaowei; Lange, Adam

Citation:

Citation: Kovinko, Alexandra; Shi, Chaowei; Lange, Adam. "Atomic structure and dynamics of the mechanosensitive channel MscL from E. coli by cryo-EM and solid-state NMR " Sci. Adv. ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 144 residues, Formula weight is not available

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 Vector: pET21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MSIIKEFREFAMRGNVVDLA VSVIIGAAFGKIVSSLVADI IMPPLGLLIGGIDFKQFAVT LRDAQGDIPAVVMHYGVFIQ NVFDFLIVAFAIFMAIKLIN KLNRKKEEPAAAPAPTKEEV LLTEIRDLLKEQNNRSLEHH HHHH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	51
15N chemical shifts	26
1H chemical shifts	26

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MscL	1

Entities:

Entity 1, MscL 144 residues - Formula weight is not available

1

MET

SER

ILE

LYS

GLU

PHE

ARG

GLU

PHE

2

ALA

MET

ARG

GLY

ASN

VAL

ASP

LEU

ALA

3

VAL

SER

VAL

ILE

GLY

ALA

PHE

GLY

4

LYS

ILE

VAL

SER

LEU

VAL

ALA

ASP

ILE

5

ILE

MET

PRO

LEU

GLY

LEU

ILE

GLY

6

GLY

ILE

ASP

PHE

LYS

GLN

PHE

ALA

VAL

THR

7

LEU

ARG

ASP

ALA

GLN

GLY

ASP

ILE

PRO

ALA

8

VAL

MET

HIS

TYR

GLY

VAL

PHE

ILE

GLN

9

ASN

VAL

PHE

ASP

PHE

LEU

ILE

VAL

ALA

PHE

10

ALA

ILE

PHE

MET

ALA

ILE

LYS

LEU

ILE

ASN

11

LYS

LEU

ASN

ARG

LYS

GLU

PRO

ALA

12

ALA

PRO

ALA

PRO

THR

LYS

GLU

VAL

13

LEU

THR

GLU

ILE

ARG

ASP

LEU

LYS

14

GLU

GLN

ASN

ARG

SER

LEU

GLU

HIS

15

HIS

Samples:

sample_1: D2O, [U-99% 2H], 5%; DSS 5%; Azolectin 45 % w/w; HEPES 20 mM; potassium chloride 100 mM; MscL, [U-13C; U-15N; U-2H], 45 % w/w

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 287 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D hNH	sample_1	anisotropic	sample_conditions_1
3D hCANH	sample_1	anisotropic	sample_conditions_1
3D hCONH	sample_1	anisotropic	sample_conditions_1
3D hCAcoNH	sample_1	anisotropic	sample_conditions_1
3D hCOcaNH	sample_1	anisotropic	sample_conditions_1
4D hCXCANH	sample_1	anisotropic	sample_conditions_1

Software:

CcpNMR v3.2.0 - chemical shift assignment, peak picking

NMRPipe - processing

TOPSPIN v4 - collection, processing

NMR spectrometers:

Bruker Avance 600 MHz

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

BMRB Entry 53469