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BMRB: 18562

2N9W

Backbone and side-chain assignments of an effector membrane localization domain from Vibrio vulnificus MARTX toxin

Authors

Brothers, M.C., Geissler, B., Hsiao, G.S., Wilson, B.A., Satchell, K.J., Rienstra, C.M.

Assembly

VvMARTX

Entity

1. VvMARTX (polymer, Thiol state: not present), 90 monomers, 10133.30 Da Detail

MGQIFTVQEL KERAKVFAKP IGASYQGILD QLDLVHQAKG RDQIAASFEL NKKINDYIAE HPTSGRNQAL TQLKEQVTSA LGLEHHHHHH

Formula weight

10133.3 Da

Source organism

Vibrio vulnificus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.1 %, Completeness: 70.7 %, Completeness (bb): 85.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	70.7 % (750 of 1061)	64.2 % (355 of 553)	78.4 % (320 of 408)	75.0 % (75 of 100)
Backbone	85.8 % (460 of 536)	82.1 % (151 of 184)	89.0 % (235 of 264)	84.1 % (74 of 88)
Sidechain	60.1 % (366 of 609)	55.3 % (204 of 369)	70.6 % (161 of 228)	8.3 % (1 of 12)
Aromatic	6.4 % (5 of 78)	10.3 % (4 of 39)	2.6 % (1 of 39)
Methyl	84.3 % (86 of 102)	88.2 % (45 of 51)	80.4 % (41 of 51)

1. VvMARTX MLD

MGQIFTVQEL KERAKVFAKP IGASYQGILD QLDLVHQAKG RDQIAASFEL NKKINDYIAE HPTSGRNQAL TQLKEQVTSA LGLEHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	DSS	natural abundance	.01 mM
2	EDTA	natural abundance	2 mM
3	NaCl	natural abundance	500 mM
4	VvMARTX MLD	[U-99% 13C; U-99% 15N]	1 mM
5	Tris-HCl	natural abundance	50 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.12 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.12 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.53 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N9W, Strand ID: A Detail

Release date

2014-02-10

Citation

Backbone and side-chain assignments of an effector membrane localization domain from Vibrio vulnificus MARTX toxin
Brothers, M.C., Geissler, B., Hisao, G.S., Wilson, B.A., Satchell, K.J.F., Rienstra, C.M.
Biomol. NMR Assign. (2014), 8, 225-228, PubMed 23765285 , DOI 10.1007/s12104-013-9488-0 , Abstract

Related entities 1. VvMARTX, : 1 : 1 : 3 : 15 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC