BMRB Entry 52271

Name: 1H, 13C, and 15N backbone and methyl group resonance assignments of ricin toxin A subunit (RTA)
Published: 2024-08-05

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52271

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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:

1H, 13C, and 15N backbone and methyl group resonance assignments of ricin toxin A subunit (RTA)

Deposition date:

2024-01-15

Original release date:

2024-08-05

Authors:

Bhattacharya, Shibani; Dahamane, Tassadite; Goger, Mike; Rudolph, Michael; Tumer, Nilgun

Citation:

Citation: Bhattacharya, Shibani; Dahamane, Tassadite; Goger, Mike; Rudolph, Michael; Tumer, Nilgun. "1H, 13C, and 15N backbone and methyl group resonance assignments of ricin toxin A subunit" Biomol. NMR assign. 18, 85-91 (2024).
PubMed: 38642265

Assembly members:

Assembly members:
entity_1, polymer, 270 residues, 30122.09 Da.

Natural source:

Natural source: Common Name: castor bean Taxonomy ID: 3988 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Ricinus communis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET His10 Sumo TEV LIC cloning vector (1S)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SNAIFPKQYPIINFTTAGAT VQSYTNFIRAVRGRLTTGAD VRHEIPVLPNRVGLPINQRF ILVELSNHAELSVTLALDMT NAAVVGYRAGNSAYFFHPDN QEDAEAITHLFTDVQNRYTF AFGGNYDRLEQLAGNLRENI ELGNGPLEEAISALYYYSTG GTQLPTLARSFIICIQMISE AARFQYIEGEMRTRIRYNRR SAPDPSVITLENSWGRLSTA IQESNQGAFASPIQLQRRNG SKFSVYDVSILIPIIALMVY RCAPPPSSQF

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	897
15N chemical shifts	238
1H chemical shifts	818

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RTA	1

Entities:

Entity 1, RTA 270 residues - 30122.09 Da.

1	SER	ASN	ALA	ILE	PHE	PRO	LYS	GLN	TYR	PRO
2	ILE	ILE	ASN	PHE	THR	THR	ALA	GLY	ALA	THR
3	VAL	GLN	SER	TYR	THR	ASN	PHE	ILE	ARG	ALA
4	VAL	ARG	GLY	ARG	LEU	THR	THR	GLY	ALA	ASP
5	VAL	ARG	HIS	GLU	ILE	PRO	VAL	LEU	PRO	ASN
6	ARG	VAL	GLY	LEU	PRO	ILE	ASN	GLN	ARG	PHE
7	ILE	LEU	VAL	GLU	LEU	SER	ASN	HIS	ALA	GLU
8	LEU	SER	VAL	THR	LEU	ALA	LEU	ASP	MET	THR
9	ASN	ALA	ALA	VAL	VAL	GLY	TYR	ARG	ALA	GLY
10	ASN	SER	ALA	TYR	PHE	PHE	HIS	PRO	ASP	ASN
11	GLN	GLU	ASP	ALA	GLU	ALA	ILE	THR	HIS	LEU
12	PHE	THR	ASP	VAL	GLN	ASN	ARG	TYR	THR	PHE
13	ALA	PHE	GLY	GLY	ASN	TYR	ASP	ARG	LEU	GLU
14	GLN	LEU	ALA	GLY	ASN	LEU	ARG	GLU	ASN	ILE
15	GLU	LEU	GLY	ASN	GLY	PRO	LEU	GLU	GLU	ALA
16	ILE	SER	ALA	LEU	TYR	TYR	TYR	SER	THR	GLY
17	GLY	THR	GLN	LEU	PRO	THR	LEU	ALA	ARG	SER
18	PHE	ILE	ILE	CYS	ILE	GLN	MET	ILE	SER	GLU
19	ALA	ALA	ARG	PHE	GLN	TYR	ILE	GLU	GLY	GLU
20	MET	ARG	THR	ARG	ILE	ARG	TYR	ASN	ARG	ARG
21	SER	ALA	PRO	ASP	PRO	SER	VAL	ILE	THR	LEU
22	GLU	ASN	SER	TRP	GLY	ARG	LEU	SER	THR	ALA
23	ILE	GLN	GLU	SER	ASN	GLN	GLY	ALA	PHE	ALA
24	SER	PRO	ILE	GLN	LEU	GLN	ARG	ARG	ASN	GLY
25	SER	LYS	PHE	SER	VAL	TYR	ASP	VAL	SER	ILE
26	LEU	ILE	PRO	ILE	ILE	ALA	LEU	MET	VAL	TYR
27	ARG	CYS	ALA	PRO	PRO	PRO	SER	SER	GLN	PHE

Samples:

sample_1: RTA, [U-100% 13C; U-100% 15N], 190 uM; HEPES 50 mM; sodium chloride 150 mM; TCEP 1 mM

sample_2: RTA, [U-100% 13C; U-100% 15N; U-80% 2H], 250 uM; HEPES 50 mM; sodium chloride 150 mM; TCEP 1 mM

sample_conditions_1: ionic strength: 150 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D (H)CCH-COSY	sample_1	isotropic	sample_conditions_1
3D 15N-separated NOESY	sample_1	isotropic	sample_conditions_1
3D 13C-separated NOESY	sample_1	isotropic	sample_conditions_1
3D 13Cmet,13Cali HMQC-NOESY-HMQC	sample_1	isotropic	sample_conditions_1
3D 15N,15N-edited HSQC-NOESY-HSQC	sample_1	isotropic	sample_conditions_1
3D 13C,15N-edited HSQC-NOESY-HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D 15N-separated NOESY	sample_2	isotropic	sample_conditions_1
3D 15N,15N-edited HSQC-NOESY-HSQC	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v3.5 - collection, processing

CARA v1.5 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 800.23 MHz

1	SER	ASN	ALA	ILE	PHE	PRO	LYS	GLN	TYR	PRO
2	ILE	ILE	ASN	PHE	THR	THR	ALA	GLY	ALA	THR
3	VAL	GLN	SER	TYR	THR	ASN	PHE	ILE	ARG	ALA
4	VAL	ARG	GLY	ARG	LEU	THR	THR	GLY	ALA	ASP
5	VAL	ARG	HIS	GLU	ILE	PRO	VAL	LEU	PRO	ASN
6	ARG	VAL	GLY	LEU	PRO	ILE	ASN	GLN	ARG	PHE
7	ILE	LEU	VAL	GLU	LEU	SER	ASN	HIS	ALA	GLU
8	LEU	SER	VAL	THR	LEU	ALA	LEU	ASP	MET	THR
9	ASN	ALA	ALA	VAL	VAL	GLY	TYR	ARG	ALA	GLY
10	ASN	SER	ALA	TYR	PHE	PHE	HIS	PRO	ASP	ASN
11	GLN	GLU	ASP	ALA	GLU	ALA	ILE	THR	HIS	LEU
12	PHE	THR	ASP	VAL	GLN	ASN	ARG	TYR	THR	PHE
13	ALA	PHE	GLY	GLY	ASN	TYR	ASP	ARG	LEU	GLU
14	GLN	LEU	ALA	GLY	ASN	LEU	ARG	GLU	ASN	ILE
15	GLU	LEU	GLY	ASN	GLY	PRO	LEU	GLU	GLU	ALA
16	ILE	SER	ALA	LEU	TYR	TYR	TYR	SER	THR	GLY
17	GLY	THR	GLN	LEU	PRO	THR	LEU	ALA	ARG	SER
18	PHE	ILE	ILE	CYS	ILE	GLN	MET	ILE	SER	GLU
19	ALA	ALA	ARG	PHE	GLN	TYR	ILE	GLU	GLY	GLU
20	MET	ARG	THR	ARG	ILE	ARG	TYR	ASN	ARG	ARG
21	SER	ALA	PRO	ASP	PRO	SER	VAL	ILE	THR	LEU
22	GLU	ASN	SER	TRP	GLY	ARG	LEU	SER	THR	ALA
23	ILE	GLN	GLU	SER	ASN	GLN	GLY	ALA	PHE	ALA
24	SER	PRO	ILE	GLN	LEU	GLN	ARG	ARG	ASN	GLY
25	SER	LYS	PHE	SER	VAL	TYR	ASP	VAL	SER	ILE
26	LEU	ILE	PRO	ILE	ILE	ALA	LEU	MET	VAL	TYR
27	ARG	CYS	ALA	PRO	PRO	PRO	SER	SER	GLN	PHE

1	SER	ASN	ALA	ILE	PHE	PRO	LYS	GLN	TYR	PRO
2	ILE	ILE	ASN	PHE	THR	THR	ALA	GLY	ALA	THR
3	VAL	GLN	SER	TYR	THR	ASN	PHE	ILE	ARG	ALA
4	VAL	ARG	GLY	ARG	LEU	THR	THR	GLY	ALA	ASP
5	VAL	ARG	HIS	GLU	ILE	PRO	VAL	LEU	PRO	ASN
6	ARG	VAL	GLY	LEU	PRO	ILE	ASN	GLN	ARG	PHE
7	ILE	LEU	VAL	GLU	LEU	SER	ASN	HIS	ALA	GLU
8	LEU	SER	VAL	THR	LEU	ALA	LEU	ASP	MET	THR
9	ASN	ALA	ALA	VAL	VAL	GLY	TYR	ARG	ALA	GLY
10	ASN	SER	ALA	TYR	PHE	PHE	HIS	PRO	ASP	ASN
11	GLN	GLU	ASP	ALA	GLU	ALA	ILE	THR	HIS	LEU
12	PHE	THR	ASP	VAL	GLN	ASN	ARG	TYR	THR	PHE
13	ALA	PHE	GLY	GLY	ASN	TYR	ASP	ARG	LEU	GLU
14	GLN	LEU	ALA	GLY	ASN	LEU	ARG	GLU	ASN	ILE
15	GLU	LEU	GLY	ASN	GLY	PRO	LEU	GLU	GLU	ALA
16	ILE	SER	ALA	LEU	TYR	TYR	TYR	SER	THR	GLY
17	GLY	THR	GLN	LEU	PRO	THR	LEU	ALA	ARG	SER
18	PHE	ILE	ILE	CYS	ILE	GLN	MET	ILE	SER	GLU
19	ALA	ALA	ARG	PHE	GLN	TYR	ILE	GLU	GLY	GLU
20	MET	ARG	THR	ARG	ILE	ARG	TYR	ASN	ARG	ARG
21	SER	ALA	PRO	ASP	PRO	SER	VAL	ILE	THR	LEU
22	GLU	ASN	SER	TRP	GLY	ARG	LEU	SER	THR	ALA
23	ILE	GLN	GLU	SER	ASN	GLN	GLY	ALA	PHE	ALA
24	SER	PRO	ILE	GLN	LEU	GLN	ARG	ARG	ASN	GLY
25	SER	LYS	PHE	SER	VAL	TYR	ASP	VAL	SER	ILE
26	LEU	ILE	PRO	ILE	ILE	ALA	LEU	MET	VAL	TYR
27	ARG	CYS	ALA	PRO	PRO	PRO	SER	SER	GLN	PHE