BMRB Entry 5886

Name: Backbone 1H, 13C and 15N Chemical Shift Assignments for TF1 bata subunit
Published: 2005-05-03

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5886

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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:

Backbone 1H, 13C and 15N Chemical Shift Assignments for TF1 bata subunit

Deposition date:

2003-07-29

Original release date:

2005-05-03

Authors:

Yagi, Hiromasa; Iwabuchi, Tomoyuki; Izumi, Kenya; Yamazaki, Toshio; Yoshida, Masasuke; Akutsu, Hideo

Citation:

Citation: Yagi, Hiromasa; Tsujimoto, T.; Yamazaki, Toshio; Yoshida, Masasuke; Akutsu, Hideo. "Conformational change of H+-ATPase beta monomer revealed on segmental isotope labeling NMR spectroscopy " J. Am. Chem. Soc. 126, 16632-16638 (2004).
PubMed: 15600369

Assembly members:

Assembly members:
TF1 ATPase Beta Subunit, polymer, 473 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Bacillus Taxonomy ID: 1386 Superkingdom: Eubacteria Kingdom: not available Genus/species: Thermophilic bacillus

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
TF1 ATPase Beta Subunit: MTRGRVIQVMGPVVDVKFEN GHLPAIYNALKIQHKARNEN EVDIDLTLEVALHLGDDTVR TIAMASTDGLIRGMEVIDTG APISVPVGEVTLGRVFNVLG EPIDLEGDIPADARRDPIHR PAPKFEELATEVEILETGIK VVDLLAPYIKGGKIGLFGGA GVGKTVLIQELIHNIAQEHG GISVFAGVGERTREGNDLYH EMKDSGVISKTAMVFGQMNE PPGARMRVALTGLTMAEYFR DEQGQDVLLFIDNIFRFTQA GSEVSALLGRMPSAVGYQPT LATEMGQLQERITSTAKGSI TSIQAIYVPADDYTDPAPAT TFSHLDATTNLERKLAEMGI YPAVDPLASTSRALAPEIVG EEHYQVARKVQQTLQRYKEL QDIIAILGMDELSDEDKLVV HRARRIQFFLSQNFHVAEQF TGQPGSYVPVKETVRGFKEI LEGKYDHLPEDAFRLVGRIE EVVEKAKAMGVEV

Data sets:

assigned_chemical_shifts
- Shift_set_1

Data type	Count
1H chemical shifts	389
13C chemical shifts	776
15N chemical shifts	389

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	TF1 ATPase Beta Subunit	1

Entities:

Entity 1, TF1 ATPase Beta Subunit 473 residues - Formula weight is not available

1

MET

THR

ARG

GLY

ARG

VAL

ILE

GLN

VAL

MET

2

GLY

PRO

VAL

ASP

VAL

LYS

PHE

GLU

ASN

3

GLY

HIS

LEU

PRO

ALA

ILE

TYR

ASN

ALA

LEU

4

LYS

ILE

GLN

HIS

LYS

ALA

ARG

ASN

GLU

ASN

5

GLU

VAL

ASP

ILE

ASP

LEU

THR

LEU

GLU

VAL

6

ALA

LEU

HIS

LEU

GLY

ASP

THR

VAL

ARG

7

THR

ILE

ALA

MET

ALA

SER

THR

ASP

GLY

LEU

8

ILE

ARG

GLY

MET

GLU

VAL

ILE

ASP

THR

GLY

9

ALA

PRO

ILE

SER

VAL

PRO

VAL

GLY

GLU

VAL

10

THR

LEU

GLY

ARG

VAL

PHE

ASN

VAL

LEU

GLY

11

GLU

PRO

ILE

ASP

LEU

GLU

GLY

ASP

ILE

PRO

12

ALA

ASP

ALA

ARG

ASP

PRO

ILE

HIS

ARG

13

PRO

ALA

PRO

LYS

PHE

GLU

LEU

ALA

THR

14

GLU

VAL

GLU

ILE

LEU

GLU

THR

GLY

ILE

LYS

15

VAL

ASP

LEU

ALA

PRO

TYR

ILE

LYS

16

GLY

LYS

ILE

GLY

LEU

PHE

GLY

ALA

17

GLY

VAL

GLY

LYS

THR

VAL

LEU

ILE

GLN

GLU

18

LEU

ILE

HIS

ASN

ILE

ALA

GLN

GLU

HIS

GLY

19

GLY

ILE

SER

VAL

PHE

ALA

GLY

VAL

GLY

GLU

20

ARG

THR

ARG

GLU

GLY

ASN

ASP

LEU

TYR

HIS

21

GLU

MET

LYS

ASP

SER

GLY

VAL

ILE

SER

LYS

22

THR

ALA

MET

VAL

PHE

GLY

GLN

MET

ASN

GLU

23

PRO

GLY

ALA

ARG

MET

ARG

VAL

ALA

LEU

24

THR

GLY

LEU

THR

MET

ALA

GLU

TYR

PHE

ARG

25

ASP

GLU

GLN

GLY

GLN

ASP

VAL

LEU

PHE

26

ILE

ASP

ASN

ILE

PHE

ARG

PHE

THR

GLN

ALA

27

GLY

SER

GLU

VAL

SER

ALA

LEU

GLY

ARG

28

MET

PRO

SER

ALA

VAL

GLY

TYR

GLN

PRO

THR

29

LEU

ALA

THR

GLU

MET

GLY

GLN

LEU

GLN

GLU

30

ARG

ILE

THR

SER

THR

ALA

LYS

GLY

SER

ILE

31

THR

SER

ILE

GLN

ALA

ILE

TYR

VAL

PRO

ALA

32

ASP

TYR

THR

ASP

PRO

ALA

PRO

ALA

THR

33

THR

PHE

SER

HIS

LEU

ASP

ALA

THR

ASN

34

LEU

GLU

ARG

LYS

LEU

ALA

GLU

MET

GLY

ILE

35

TYR

PRO

ALA

VAL

ASP

PRO

LEU

ALA

SER

THR

36

SER

ARG

ALA

LEU

ALA

PRO

GLU

ILE

VAL

GLY

37

GLU

HIS

TYR

GLN

VAL

ALA

ARG

LYS

VAL

38

GLN

THR

LEU

GLN

ARG

TYR

LYS

GLU

LEU

39

GLN

ASP

ILE

ALA

ILE

LEU

GLY

MET

ASP

40

GLU

LEU

SER

ASP

GLU

ASP

LYS

LEU

VAL

41

HIS

ARG

ALA

ARG

ILE

GLN

PHE

LEU

42

SER

GLN

ASN

PHE

HIS

VAL

ALA

GLU

GLN

PHE

43

THR

GLY

GLN

PRO

GLY

SER

TYR

VAL

PRO

VAL

44

LYS

GLU

THR

VAL

ARG

GLY

PHE

LYS

GLU

ILE

45

LEU

GLU

GLY

LYS

TYR

ASP

HIS

LEU

PRO

GLU

46

ASP

ALA

PHE

ARG

LEU

VAL

GLY

ARG

ILE

GLU

47

GLU

VAL

GLU

LYS

ALA

LYS

ALA

MET

GLY

48

VAL

GLU

VAL

Samples:

Sample_1: TF1 ATPase Beta Subunit, [U-95% 13C; U-98% 15N; U-80% 2H] 1-124a.a., 0.3 mM

Sample_2: TF1 ATPase Beta Subunit, [U-95% 13C; U-98% 15N; U-80% 2H] 1-271a.a., 0.3 mM

Sample_3: TF1 ATPase Beta Subunit, [U-95% 13C; U-98% 15N; U-80% 2H] 272-473a.a., 0.3 mM

Sample_4: TF1 ATPase Beta Subunit, [U-95% 13C; U-98% 15N; U-80% 2H] 391-473a.a., 0.3 mM

Ex-cond_1: pH: 8.0 na; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N HSQC TROSY	not available	not available	not available
HNCO TROSY	not available	not available	not available
HNCA TROSY	not available	not available	not available
HN(CO)CA TROSY	not available	not available	not available
HNCACB TROSY	not available	not available	not available
HN(CO)CACB TROSY	not available	not available	not available
HN(CA)CO TROSY	not available	not available	not available

Software:

NMRPipe v4.3.2 -

NMR spectrometers:

Bruker DRX 800 MHz

BMRB	11074
PDB	1SKY
DBJ	BAA00066 BAA07248 BAA07255 BAD77643 GAD12923
EMBL	CAA28277 CAA30655
GB	AAF64075 ABO68643 ACS25943 ACX79963 ADI28256
PIR	A25504
PRF	1211283A
REF	WP_003253633 WP_008880693 WP_011232825 WP_015865310 WP_017436867
SP	A4ITI9 C5D990 P07677 P41009 P42006
AlphaFold	A4ITI9 C5D990 P07677 P41009 P42006