BMRB Entry 52265

Name: Backbone assignments for MALT1 E549A mutation
Published: 2024-08-05

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52265

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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 assignments for MALT1 E549A mutation

Deposition date:

2024-01-09

Original release date:

2024-08-05

Authors:

Wallerstein, Johan; Han, Xiao; Levkovets, Maria; Lesovoy, Dmitry; Malmodin, Daniel; Mirabello, Claudio; Wallner, Bjorn; Sun, Renhua; Sandalova, Tatyana; Agback, Peter; Karlsson, Goran; Achour, Adnane; Agback, Tatiana; Orekhov, Vladislav

Citation:

Citation: Wallerstein, Johan; Han, Xiao; Levkovets, Maria; Lesovoy, Dmitry; Malmodin, Daniel; Mirabello, Claudio; Wallner, Bjorn; Sun, Renhua; Sandalova, Tatyana; Agback, Peter; Karlsson, Goran; Achour, Adnane; Agback, Tatiana; Orekhov, Vladislav. "Insights into mechanisms of MALT1 allostery from NMR and AlphaFold dynamic analyses" Commun. Biol. 7, 868-868 (2024).
PubMed: 39014105

Assembly members:

Assembly members:
entity_1, polymer, 388 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: pET21b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MLAKDKVALLIGNMNYREHP KLKAPLVDVYELTNLLRQLD FKVVSLLDLTEYEMRNAVDE FLLLLDKGVYGLLYYAGHGY ENFGNSFMVPVDAPNPYRSE NCLCVQNILKLMQEKETGLN VFLLDMCRKRNDYDDTIPIL DALKVTANIVFGYATCQGAE AFEIQHSGLANGIFMKFLKD RLLEDKKITVLLDEVAEDMG KCHLTKGKQALAIRSSLSEK RALTDPIQGTEYSAESLVRN LQWAKAHELPESMCLKFDCG VQIQLGFAAEFSNVMIIYTS IVYKPPEIIMCDAYVTDFPL DLDIDPKDANKGTPEETGSY LVSKDLPKHCLYTRLSSLQK LKEHLVFTVCLSYQYSGLED TVEDKQEVNVGKPLIAKLDM HRHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	292
15N chemical shifts	264
1H chemical shifts	264

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MALT1	1

Entities:

Entity 1, MALT1 388 residues - Formula weight is not available

1

MET

LEU

ALA

LYS

ASP

LYS

VAL

ALA

LEU

2

ILE

GLY

ASN

MET

ASN

TYR

ARG

GLU

HIS

PRO

3

LYS

LEU

LYS

ALA

PRO

LEU

VAL

ASP

VAL

TYR

4

GLU

LEU

THR

ASN

LEU

ARG

GLN

LEU

ASP

5

PHE

LYS

VAL

SER

LEU

ASP

LEU

THR

6

GLU

TYR

GLU

MET

ARG

ASN

ALA

VAL

ASP

GLU

7

PHE

LEU

ASP

LYS

GLY

VAL

TYR

8

GLY

LEU

TYR

ALA

GLY

HIS

GLY

TYR

9

GLU

ASN

PHE

GLY

ASN

SER

PHE

MET

VAL

PRO

10

VAL

ASP

ALA

PRO

ASN

PRO

TYR

ARG

SER

GLU

11

ASN

CYS

LEU

CYS

VAL

GLN

ASN

ILE

LEU

LYS

12

LEU

MET

GLN

GLU

LYS

GLU

THR

GLY

LEU

ASN

13

VAL

PHE

LEU

ASP

MET

CYS

ARG

LYS

ARG

14

ASN

ASP

TYR

ASP

THR

ILE

PRO

ILE

LEU

15

ASP

ALA

LEU

LYS

VAL

THR

ALA

ASN

ILE

VAL

16

PHE

GLY

TYR

ALA

THR

CYS

GLN

GLY

ALA

GLU

17

ALA

PHE

GLU

ILE

GLN

HIS

SER

GLY

LEU

ALA

18

ASN

GLY

ILE

PHE

MET

LYS

PHE

LEU

LYS

ASP

19

ARG

LEU

GLU

ASP

LYS

ILE

THR

VAL

20

LEU

ASP

GLU

VAL

ALA

GLU

ASP

MET

GLY

21

LYS

CYS

HIS

LEU

THR

LYS

GLY

LYS

GLN

ALA

22

LEU

ALA

ILE

ARG

SER

LEU

SER

GLU

LYS

23

ARG

ALA

LEU

THR

ASP

PRO

ILE

GLN

GLY

THR

24

GLU

TYR

SER

ALA

GLU

SER

LEU

VAL

ARG

ASN

25

LEU

GLN

TRP

ALA

LYS

ALA

HIS

GLU

LEU

PRO

26

GLU

SER

MET

CYS

LEU

LYS

PHE

ASP

CYS

GLY

27

VAL

GLN

ILE

GLN

LEU

GLY

PHE

ALA

GLU

28

PHE

SER

ASN

VAL

MET

ILE

TYR

THR

SER

29

ILE

VAL

TYR

LYS

PRO

GLU

ILE

MET

30

CYS

ASP

ALA

TYR

VAL

THR

ASP

PHE

PRO

LEU

31

ASP

LEU

ASP

ILE

ASP

PRO

LYS

ASP

ALA

ASN

32

LYS

GLY

THR

PRO

GLU

THR

GLY

SER

TYR

33

LEU

VAL

SER

LYS

ASP

LEU

PRO

LYS

HIS

CYS

34

LEU

TYR

THR

ARG

LEU

SER

LEU

GLN

LYS

35

LEU

LYS

GLU

HIS

LEU

VAL

PHE

THR

VAL

CYS

36

LEU

SER

TYR

GLN

TYR

SER

GLY

LEU

GLU

ASP

37

THR

VAL

GLU

ASP

LYS

GLN

GLU

VAL

ASN

VAL

38

GLY

LYS

PRO

LEU

ILE

ALA

LYS

LEU

ASP

MET

39

HIS

ARG

HIS

Samples:

sample_1: MALT1 PCASP and Ig3 domains, [U-13C; U-15N; U-2H], 0.4 mM; sodium chloride 50 mM; TRIS 10 mM; TCEP 2 mM; sodium azide 0.002%

sample_conditions_1: ionic strength: 0.05 M; pH: 7.6; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

TOPSPIN v4.2.0 - collection

MddNMR - processing

NMRPipe - processing

CcpNMR - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 800 MHz
Bruker AVANCE III 900 MHz

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