BMRBj - BMREntryMaster

Found 1 Document (0.332 seconds)

BMRB: 30908

7MU9

Solution NMR structure of the XVIPCD region from the T4SS effector X-Tfe(XAC2609) from Xanthomonas citri

Authors

Oka, G.U., Salinas, R.K., Farah, C.S.

Assembly

Carboxypeptidase

Entity

1. Carboxypeptidase (polymer, Thiol state: not present), 105 monomers, 11466.45 Da Detail

GSHMSDPRHP DNAMYNGAVS KLEALGERGG FANRKELEQA AGQIVFESKV SGLQRIDHVV PNKSGDGFFA VQGELTDPAM QRVFVDRNQA QNQPLENSSR QAAEE

Formula weight

11466.45 Da

Source organism

Xanthomonas citri pv. citri str. 306

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 89.5 %, Completeness: 76.1 %, Completeness (bb): 84.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.1 % (899 of 1181)	73.1 % (451 of 617)	81.4 % (359 of 441)	72.4 % (89 of 123)
Backbone	84.4 % (523 of 620)	82.3 % (177 of 215)	86.6 % (264 of 305)	82.0 % (82 of 100)
Sidechain	70.3 % (461 of 656)	68.2 % (274 of 402)	77.9 % (180 of 231)	30.4 % (7 of 23)
Aromatic	54.3 % (38 of 70)	77.1 % (27 of 35)	31.4 % (11 of 35)
Methyl	97.7 % (86 of 88)	95.5 % (42 of 44)	100.0 % (44 of 44)

1. entity 1

GSHMSDPRHP DNAMYNGAVS KLEALGERGG FANRKELEQA AGQIVFESKV SGLQRIDHVV PNKSGDGFFA VQGELTDPAM QRVFVDRNQA QNQPLENSSR QAAEE

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1016 (±10) mbar, Temperature 298 (±0.2) K, pH 8.0 (±0.1), Details 1.5 mM [U-100% 13C; U-100% 15N] XAC2609(311-411), 20 mM TRIS, 100 mM sodium chloride, 0.1 % v/v glycerol, 0.05 % w/v sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

Release date

2021-06-13

Citation

Structural basis for effector recognition by an antibacterial type IV secretion system
Oka, G.U., Souza, D.P., Cenens, W., Matsuyama, B.Y., Cardoso, M.V.C., Oliveira, L.C., Lima, F.S., Cuccovia, I.M., Guzzo, C.R., Salinas, R.K., Farah, C.S.
Proc. Natl. Acad. Sci. U. S. A. (2022), 119, e2112529119-e2112529119, PubMed 34983846 , DOI 10.1073/pnas.2112529119 , Abstract

Related entities 1. Carboxypeptidase, : 1 : 2 entities Detail

Experiments performed 20 experiments Detail

1 3D HNCACB

Instrument

Bruker AVANCE III - 800 MHz

Sample

State anisotropic, Solvent system 93% H2O/7% D2O, Pressure 1016 (±10) mbar, Temperature 298 (±0.2) K, pH 8.0 (±0.1), Details 1.5 mM [U-100% 13C; U-100% 15N] XAC2609(311-411), 20 mM TRIS, 100 mM sodium chloride, 0.1 % v/v glycerol, 0.05 % w/v sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

2 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

3 3D HNCA

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

4 3D HN(CO)CA

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

5 3D HNCO

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

6 HN(CA)CO

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

7 3D-(H)CCH

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1016 (±10) mbar, Temperature 298 (±0.2) K, pH 8.0 (±0.1), Details 1.5 mM [U-100% 13C; U-100% 15N] XAC2609(311-411), 20 mM TRIS, 100 mM sodium chloride, 0.1 % v/v glycerol, 0.05 % w/v sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

8 3D-H(C)CH

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

9 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

10 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

11 3D 15N NOESY-HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

12 3D 13C NOESY-HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

13 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

14 2D AROMATIC 13C NOESY-HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

15 3D (D2O) H(C)CH-TOCSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

16 3D (D2O) (H)CCH-TOCSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

17 3D (D2O) 13C NOESY-HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

18 3D (D2) 15N NOESY-HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

19 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

20 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	XAC2609(311-411)	[U-100% 13C; U-100% 15N]	1.5 mM
2	TRIS	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	glycerol	natural abundance	0.1 % v/v
5	sodium azide	natural abundance	0.05 % w/v

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30908_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr30908_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	964		88.6 (chain: 1, length: 105)
1	Chemical shift references	chem_shift_reference_1	Warning	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 105, Sequence coverage: 88.6%
- Total number of assignments
  - ¹H chemical shifts: 522
  - ¹³C chemical shifts: 355
  - ¹⁵N chemical shifts: 87
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	617	436	70.7
¹³C chemical shifts	441	355	80.5
¹⁵N chemical shifts	123	87	70.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	215	173	80.5
¹³C chemical shifts	210	178	84.8
¹⁵N chemical shifts	100	80	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	402	263	65.4
¹³C chemical shifts	231	177	76.6
¹⁵N chemical shifts	23	7	30.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	47	43	91.5
¹³C chemical shifts	47	45	95.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	35	27	77.1
¹³C chemical shifts	35	11	31.4

Keywords TRANSPORT PROTEIN, VirD4 binding module, bacterial competition, bacterial toxin, type IV secretion system

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Found 1 Document (0.332 seconds)

BMRB: 30908

Sample

Related entities 1. Carboxypeptidase, : 1 : 2 entities Detail

Experiments performed 20 experiments Detail

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Chemical shift validation 3 contents Detail