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BMRB: 25512

2N01

NMR structure of VirB9 C-terminal domain in complex with VirB7 N-terminal domain from Xanthomonas citri's T4SS.

Authors

Oliveira, L.C., Souza, D.P., Salinas, R.K., Wienk, H., Boelens, R., Farah, S.C.

Assembly

VirB9 C-terminal domain in complex with VirB7 N-terminal domain from Xanthomonas citri's T4SS

Entity

1. Xac VirB7NT (polymer, Thiol state: not present), 24 monomers, 2662.864 Da Detail

XTKPAPDFGG RWKHVNHFDE APTE

2. Xac VirB9CT (polymer, Thiol state: not present), 107 monomers, 12447.95 Da Detail

GSHMNAKILK DRRYYYDYDY ATRTKKSWLI PSRVYDDGKF TYINMDLTRF PTGNFPAVFA REKEHAEDFL VNTTVEGNTL IVHGTYPFLV VRHGDNVVGL RRNKQKX

Total weight

15110.814 Da

Max. entity weight

12447.95 Da

Source organism

Xanthomonas citri pv. citri str. 306

Exptl. method

solution NMR

Refine. method

simulated annealing, water refinement in cartesian space

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.2 %, Completeness: 84.7 %, Completeness (bb): 86.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.7 % (1315 of 1552)	90.6 % (732 of 808)	77.1 % (471 of 611)	84.2 % (112 of 133)
Backbone	86.2 % (655 of 760)	94.2 % (245 of 260)	81.0 % (306 of 378)	85.2 % (104 of 122)
Sidechain	83.2 % (759 of 912)	88.9 % (487 of 548)	74.8 % (264 of 353)	72.7 % (8 of 11)
Aromatic	66.7 % (128 of 192)	79.2 % (76 of 96)	54.3 % (51 of 94)	50.0 % (1 of 2)
Methyl	94.2 % (113 of 120)	95.0 % (57 of 60)	93.3 % (56 of 60)

1. Xac VirB7NT

XTKPAPDFGG RWKHVNHFDE APTE

2. Xac VirB9CT

GSHMNAKILK DRRYYYDYDY ATRTKKSWLI PSRVYDDGKF TYINMDLTRF PTGNFPAVFA REKEHAEDFL VNTTVEGNTL IVHGTYPFLV VRHGDNVVGL RRNKQKX

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5

#	Name	Isotope labeling	Concentration
1	Xac_VirB9CT	[U-99% 13C; U-99% 15N]	0.500 mM
2	Xac_VirB7NT	natural abundance	1 mM
3	D2O	[U-99% 2H]	10 %
4	sodium acetate	[U-100% 2H]	20 mM
5	sodium chloride	natural abundance	50 mM
6	sodium azide	natural abundance	1 %
7	H2O	natural abundance	90 %

LACS Plot; CA

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

Referencing offset: 0.02 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.02 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.69 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N01, Strand ID: A, B Detail

Release date

2015-09-09

Citation

VirB7 and VirB9 Interactions Are Required for the Assembly and Antibacterial Activity of a Type IV Secretion System
Oliveira, L.C., Souza, D.P., Oka, G.U., Lima, F., Oliveira, R.J., Favaro, D.C., Wienk, H., Boelens, R., Farah, C.S., Salinas, R.K.
Structure (2016), 24, 1707-1718, PubMed 27594685 , DOI 10.1016/j.str.2016.07.015 , Abstract

Related entities 1. Xac VirB7NT, : 2 entities Detail

Related entities 2. Xac VirB9CT, : 1 entities Detail

Experiments performed 24 experiments Detail

1 2D 1H-15N HSQC