BMRB Entry 26804

Name: POTRA1-5 backbone amide chemical shift assignments
Published: 2017-08-23

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26804

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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:

POTRA1-5 backbone amide chemical shift assignments

Deposition date:

2016-05-21

Original release date:

2017-08-23

Authors:

Warner, Lisa; Gatzeva-Topolova, Petia; Doerner, Pamela; Pardi, Arthur; Sousa, Marcelo

Citation:

Citation: Warner, Lisa; Gatzeva-Topolova, Petia; Doerner, Pamela; Pardi, Arthur; Sousa, Marcelo. "Flexibility in the Periplasmic Domain of BamA Is Important for Function" Structure 25, 94-106 (2017).
PubMed: 27989620

Assembly members:

Assembly members:
BamA_POTRA1-5, polymer, 409 residues, Formula weight is not available

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: pMS675

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BamA_POTRA1-5: GAMAEGFVVKDIHFEGLQRV AVGAALLSMPVRTGDTVNDE DISNTIRALFATGNFEDVRV LRDGDTLLVQVKERPTIASI TFSGNKSVKDDMLKQNLEAS GVRVGESLDRTTIADIEKGL EDFYYSVGKYSASVKAVVTP LPRNRVDLKLVFQEGVSAEI QQINIVGNHAFTTDELISHF QLRDEVPWWNVVGDRKYQKQ KLAGDLETLRSYYLDRGYAR FNIDSTQVSLTPDKKGIYVT VNITEGDQYKLSGVEVSGNL AGHSAEIEQLTKIEPGELYN GTKVTKMEDDIKKLLGRYGY AYPRVQSMPEINDADKTVKL RVNVDAGNRFYVRKIRFEGN DTSKDAVLRREMRQMEGAWL GSDLVDQGKERLNRLGFFET VDTDTQRVPGSPDQVDVVYK VKERNTGPG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
heteronucl_NOEs
- heteronucl_NOEs_1
heteronucl_T1_relaxation
- heteronuclear_T1_list_1
heteronucl_T1rho_relaxation
- heteronuclear_T1rho_list_1

Data type	Count
15N chemical shifts	319
1H chemical shifts	319
T1 relaxation values	253
T1rho relaxation values	250
heteronuclear NOE values	256

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	POTRA1-5	1

Entities:

Entity 1, POTRA1-5 409 residues - Formula weight is not available

1

GLY

ALA

MET

ALA

GLU

GLY

PHE

VAL

LYS

2

ASP

ILE

HIS

PHE

GLU

GLY

LEU

GLN

ARG

VAL

3

ALA

VAL

GLY

ALA

LEU

SER

MET

PRO

4

VAL

ARG

THR

GLY

ASP

THR

VAL

ASN

ASP

GLU

5

ASP

ILE

SER

ASN

THR

ILE

ARG

ALA

LEU

PHE

6

ALA

THR

GLY

ASN

PHE

GLU

ASP

VAL

ARG

VAL

7

LEU

ARG

ASP

GLY

ASP

THR

LEU

VAL

GLN

8

VAL

LYS

GLU

ARG

PRO

THR

ILE

ALA

SER

ILE

9

THR

PHE

SER

GLY

ASN

LYS

SER

VAL

LYS

ASP

10

ASP

MET

LEU

LYS

GLN

ASN

LEU

GLU

ALA

SER

11

GLY

VAL

ARG

VAL

GLY

GLU

SER

LEU

ASP

ARG

12

THR

ILE

ALA

ASP

ILE

GLU

LYS

GLY

LEU

13

GLU

ASP

PHE

TYR

SER

VAL

GLY

LYS

TYR

14

SER

ALA

SER

VAL

LYS

ALA

VAL

THR

PRO

15

LEU

PRO

ARG

ASN

ARG

VAL

ASP

LEU

LYS

LEU

16

VAL

PHE

GLN

GLU

GLY

VAL

SER

ALA

GLU

ILE

17

GLN

ILE

ASN

ILE

VAL

GLY

ASN

HIS

ALA

18

PHE

THR

ASP

GLU

LEU

ILE

SER

HIS

PHE

19

GLN

LEU

ARG

ASP

GLU

VAL

PRO

TRP

ASN

20

VAL

GLY

ASP

ARG

LYS

TYR

GLN

LYS

GLN

21

LYS

LEU

ALA

GLY

ASP

LEU

GLU

THR

LEU

ARG

22

SER

TYR

LEU

ASP

ARG

GLY

TYR

ALA

ARG

23

PHE

ASN

ILE

ASP

SER

THR

GLN

VAL

SER

LEU

24

THR

PRO

ASP

LYS

GLY

ILE

TYR

VAL

THR

25

VAL

ASN

ILE

THR

GLU

GLY

ASP

GLN

TYR

LYS

26

LEU

SER

GLY

VAL

GLU

VAL

SER

GLY

ASN

LEU

27

ALA

GLY

HIS

SER

ALA

GLU

ILE

GLU

GLN

LEU

28

THR

LYS

ILE

GLU

PRO

GLY

GLU

LEU

TYR

ASN

29

GLY

THR

LYS

VAL

THR

LYS

MET

GLU

ASP

30

ILE

LYS

LEU

GLY

ARG

TYR

GLY

TYR

31

ALA

TYR

PRO

ARG

VAL

GLN

SER

MET

PRO

GLU

32

ILE

ASN

ASP

ALA

ASP

LYS

THR

VAL

LYS

LEU

33

ARG

VAL

ASN

VAL

ASP

ALA

GLY

ASN

ARG

PHE

34

TYR

VAL

ARG

LYS

ILE

ARG

PHE

GLU

GLY

ASN

35

ASP

THR

SER

LYS

ASP

ALA

VAL

LEU

ARG

36

GLU

MET

ARG

GLN

MET

GLU

GLY

ALA

TRP

LEU

37

GLY

SER

ASP

LEU

VAL

ASP

GLN

GLY

LYS

GLU

38

ARG

LEU

ASN

ARG

LEU

GLY

PHE

GLU

THR

39

VAL

ASP

THR

ASP

THR

GLN

ARG

VAL

PRO

GLY

40

SER

PRO

ASP

GLN

VAL

ASP

VAL

TYR

LYS

41

VAL

LYS

GLU

ARG

ASN

THR

GLY

PRO

GLY

Samples:

sample_1: BamA POTRA1-5, [U-13C; U-15N; U-2H], 1 mM; D2O 10%; MES 50 mM; sodium chloride 50 mM; EDTA 0.1 mM; sodium azide 0.01%; TSP 0.14 mM; HALT protease inhibitor 1 tablet/100mL

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Varian INOVA 800 MHz

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