BMRB Entry 6375

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6375

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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:

Full 1H, 13C, and 15N Chemical Shift Assignments for Escherichia coli TonB 151-239

Deposition date:

2004-11-01

Original release date:

2005-03-07

Authors:

Peacock, R.

Citation:

Citation: Sean, Peacock; Weljie, Aalim; Peter, Howard; Price, Feodor; Vogel, Hans. "The solution structure of the C-terminal domain of TonB and interation studies with TonB box peptides." J. Mol. Biol. 345, 1185-1197 (2005).
PubMed: 15644214

Assembly members:

Assembly members:
TonB C-terminal domain, polymer, 89 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Escherichia 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):
TonB C-terminal domain: SGPRALSRNQPQYPARAQAL RIEGQVKVKFDVTPDGRVDN VQILSAKPANMFEREVKNAM RRWRYEPGKPGSGIVVNILF KINGTTEIQ

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
1H chemical shifts	641
13C chemical shifts	359
15N chemical shifts	93

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	TonB C-terminal Domain monomer	1

Entities:

Entity 1, TonB C-terminal Domain monomer 89 residues - Formula weight is not available

1

SER

GLY

PRO

ARG

ALA

LEU

SER

ARG

ASN

GLN

2

PRO

GLN

TYR

PRO

ALA

ARG

ALA

GLN

ALA

LEU

3

ARG

ILE

GLU

GLY

GLN

VAL

LYS

VAL

LYS

PHE

4

ASP

VAL

THR

PRO

ASP

GLY

ARG

VAL

ASP

ASN

5

VAL

GLN

ILE

LEU

SER

ALA

LYS

PRO

ALA

ASN

6

MET

PHE

GLU

ARG

GLU

VAL

LYS

ASN

ALA

MET

7

ARG

TRP

ARG

TYR

GLU

PRO

GLY

LYS

PRO

8

GLY

SER

GLY

ILE

VAL

ASN

ILE

LEU

PHE

9

LYS

ILE

ASN

GLY

THR

GLU

ILE

GLN

Samples:

sample_1: TonB C-terminal domain, [U-95% 13C; U-95% 15N], 1.4 mM; Sodium Phosphate 100 mM; Sodium Azide 0.6 mM

conditions_1: pH: 7.00; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D Proton	not available	not available	not available
2D Proton-Proton NOESY (H2O)	not available	not available	not available
2D Proton-Proton TOCSY (D2O)	not available	not available	not available
2D Proton-Proton NOESY (D2O)	not available	not available	not available
Steady State 15N Heteronuclear nOe	not available	not available	not available
T1 15N	not available	not available	not available
T2 15N	not available	not available	not available
2D 1H-15N HSQC	not available	not available	not available
2D 1H-13C HSQC	not available	not available	not available
HNCO	not available	not available	not available
HN(CA)CO	not available	not available	not available
HNCA	not available	not available	not available
HN(CO)CA	not available	not available	not available
CBCA(CO)NH	not available	not available	not available
CBCANH	not available	not available	not available
HCCH-TOCSY	not available	not available	not available
CCCONH-TOCSY	not available	not available	not available
HBHA(CO)NH	not available	not available	not available
HCCCONH-TOCSY	not available	not available	not available
3D 13C separated NOESY	not available	not available	not available
3D 15N separated NOESY	not available	not available	not available

Software:

No software information available

NMR spectrometers:

Bruker Avance 700 MHz
Bruker Avance 500 MHz

PDB	1IHR 1QXX 1U07 1XX3 2GRX 2GSK
DBJ	BAA14784 BAB35175 BAG66413 BAG76825 BAI25062
EMBL	CAP75797 CAQ31753 CAQ98131 CAR02647 CAR07605
GB	AAB59066 AAB60069 AAB60077 AAB60085 AAB60093
REF	NP_287495 NP_309779 NP_415768 NP_707161 NP_753622
SP	P02929
AlphaFold	P02929