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BMRB: 34678

7QA5

Solution structure of the C terminal domain of MgtC (PA4635) from Pseudomonas aeruginosa

Authors

Barthe, P., Cohen-Gonsaud, M.

Assembly

Protein MgtC

Entity

1. Protein MgtC (polymer), 97 monomers, 10823.05 Da Detail

GPHMASEAEQ RYEVQIVCRA EDEIQVRSLM LHSLGSSDLR LQSLHSEDLD NPAKLEVRAE LLGTPEAPAQ LERLVSRVSL EKGVSSVRWQ VFELAAD

Formula weight

10823.05 Da

Source organism

Pseudomonas aeruginosa PAO1

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.9 %, Completeness: 76.2 %, Completeness (bb): 86.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.2 % (844 of 1108)	91.6 % (525 of 573)	52.1 % (222 of 426)	89.0 % (97 of 109)
Backbone	86.1 % (494 of 574)	94.8 % (184 of 194)	77.0 % (221 of 287)	95.7 % (89 of 93)
Sidechain	64.1 % (402 of 627)	90.0 % (341 of 379)	22.8 % (53 of 232)	50.0 % (8 of 16)
Aromatic	40.5 % (17 of 42)	76.2 % (16 of 21)	0.0 % (0 of 20)	100.0 % (1 of 1)
Methyl	56.7 % (68 of 120)	100.0 % (60 of 60)	13.3 % (8 of 60)

1. entity 1

GPHMASEAEQ RYEVQIVCRA EDEIQVRSLM LHSLGSSDLR LQSLHSEDLD NPAKLEVRAE LLGTPEAPAQ LERLVSRVSL EKGVSSVRWQ VFELAAD

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 0.4 mM [U-15N] PA4635, 25 mM sodium phosphate, 150 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	PA4635	[U-15N]	0.4 mM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	natural abundance	2 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 0.4 mM [U-13C; U-15N] PA4635, 25 mM sodium phosphate, 150 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	PA4635	[U-13C; U-15N]	0.4 mM
6	sodium phosphate	natural abundance	25 mM
7	sodium chloride	natural abundance	150 mM
8	DTT	natural abundance	2 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 0.4 mM [U-13C; U-15N] PA4635, 25 mM sodium phosphate, 150 mM sodium chloride, 2 mM DTT, 100% D2O

#	Name	Isotope labeling	Concentration
9	PA4635	[U-13C; U-15N]	0.4 mM
10	sodium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	150 mM
12	DTT	natural abundance	2 mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 0.4 mM [U-13C; U-15N] PA4635, 25 mM sodium phosphate, 150 mM sodium chloride, 2 mM DTT, 100% D2O

#	Name	Isotope labeling	Concentration
13	PA4635	[U-13C; U-15N]	0.4 mM
14	sodium phosphate	natural abundance	25 mM
15	sodium chloride	natural abundance	150 mM
16	DTT	natural abundance	2 mM

Release date

2022-04-25

Citation

Solution structure of the C terminal domain of MgtC (PA4635) from Pseudomonas aeruginosa
Barthe, P., Cohen-Gonsaud, M.

Related entities 1. Protein MgtC, : 1 : 7 entities Detail

Experiments performed 11 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 800 MHz equipped with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 0.4 mM [U-15N] PA4635, 25 mM sodium phosphate, 150 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	PA4635	[U-15N]	0.4 mM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	natural abundance	2 mM

2 3D 1H-15N TOCSY

Instrument

Bruker AVANCE III - 800 MHz equipped with cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	PA4635	[U-15N]	0.4 mM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	natural abundance	2 mM

3 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 800 MHz equipped with cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 0.4 mM [U-13C; U-15N] PA4635, 25 mM sodium phosphate, 150 mM sodium chloride, 2 mM DTT, 100% D2O

#	Name	Isotope labeling	Concentration
9	PA4635	[U-13C; U-15N]	0.4 mM
10	sodium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	150 mM
12	DTT	natural abundance	2 mM

4 2D 1H-1H TOCSY

Instrument

Bruker AVANCE III - 800 MHz equipped with cryoprobe

Sample

#	Name	Isotope labeling	Concentration
9	PA4635	[U-13C; U-15N]	0.4 mM
10	sodium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	150 mM
12	DTT	natural abundance	2 mM

5 2D DQF-COSY

Instrument

Bruker AVANCE III - 800 MHz equipped with cryoprobe

Sample

#	Name	Isotope labeling	Concentration
9	PA4635	[U-13C; U-15N]	0.4 mM
10	sodium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	150 mM
12	DTT	natural abundance	2 mM

6 3D HCACO

Instrument

Bruker AVANCE III - 700 MHz equipped with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.8, Details 0.4 mM [U-13C; U-15N] PA4635, 25 mM sodium phosphate, 150 mM sodium chloride, 2 mM DTT, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	PA4635	[U-13C; U-15N]	0.4 mM
6	sodium phosphate	natural abundance	25 mM
7	sodium chloride	natural abundance	150 mM
8	DTT	natural abundance	2 mM

7 3D HNCO

Instrument

Bruker AVANCE III - 700 MHz equipped with cryoprobe

Sample

#	Name	Isotope labeling	Concentration
5	PA4635	[U-13C; U-15N]	0.4 mM
6	sodium phosphate	natural abundance	25 mM
7	sodium chloride	natural abundance	150 mM
8	DTT	natural abundance	2 mM

8 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 700 MHz equipped with cryoprobe

Sample

#	Name	Isotope labeling	Concentration
5	PA4635	[U-13C; U-15N]	0.4 mM
6	sodium phosphate	natural abundance	25 mM
7	sodium chloride	natural abundance	150 mM
8	DTT	natural abundance	2 mM

9 3D HNCACB

Instrument

Bruker AVANCE III - 700 MHz equipped with cryoprobe

Sample

#	Name	Isotope labeling	Concentration
5	PA4635	[U-13C; U-15N]	0.4 mM
6	sodium phosphate	natural abundance	25 mM
7	sodium chloride	natural abundance	150 mM
8	DTT	natural abundance	2 mM

10 3D HNCA

Instrument

Bruker AVANCE III - 700 MHz equipped with cryoprobe

Sample

#	Name	Isotope labeling	Concentration
5	PA4635	[U-13C; U-15N]	0.4 mM
6	sodium phosphate	natural abundance	25 mM
7	sodium chloride	natural abundance	150 mM
8	DTT	natural abundance	2 mM

11 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 800 MHz equipped with cryoprobe

Sample

#	Name	Isotope labeling	Concentration
13	PA4635	[U-13C; U-15N]	0.4 mM
14	sodium phosphate	natural abundance	25 mM
15	sodium chloride	natural abundance	150 mM
16	DTT	natural abundance	2 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34678_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: bmr34678_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	966		95.9 (chain: 1, length: 97)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 97, Sequence coverage: 95.9%
- Total number of assignments
  - ¹H chemical shifts: 647
  - ¹³C chemical shifts: 222
  - ¹⁵N chemical shifts: 97
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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	573	525	91.6
¹³C chemical shifts	426	222	52.1
¹⁵N chemical shifts	109	97	89.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	194	184	94.8
¹³C chemical shifts	194	169	87.1
¹⁵N chemical shifts	93	89	95.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	379	341	90.0
¹³C chemical shifts	232	53	22.8
¹⁵N chemical shifts	16	8	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	61	98.4
¹³C chemical shifts	62	9	14.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	16	76.2
¹³C chemical shifts	20	0	0.0
¹⁵N chemical shifts	1	1	100.0

Keywords UNKNOWN FUNCTION, Virulence factor

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Found 1 Document (0.44 seconds)

BMRB: 34678

Sample #1

Sample #2

Sample #3

Sample #4

Related entities 1. Protein MgtC, : 1 : 7 entities Detail

Experiments performed 11 experiments Detail

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Chemical shift validation 3 contents Detail