BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	89.9 % (1222 of 1359)	89.6 % (637 of 711)	91.3 % (482 of 528)	85.8 % (103 of 120)
Backbone	92.1 % (628 of 682)	91.3 % (210 of 230)	92.4 % (317 of 343)	92.7 % (101 of 109)
Sidechain	87.9 % (693 of 788)	88.8 % (427 of 481)	89.2 % (264 of 296)	18.2 % (2 of 11)
Aromatic	67.3 % (66 of 98)	69.4 % (34 of 49)	63.8 % (30 of 47)	100.0 % (2 of 2)
Methyl	94.0 % (94 of 100)	94.0 % (47 of 50)	94.0 % (47 of 50)

1. entity 1

MAHHHHHHVD DDDKMEDTAN PNEMTKDAWL NSMTPLLPDL ICKGFIQDPD LKKRFDEIKM TYEQCVTLIP ESTKKCQDEL YASMPDKINS ETAGTWGRSL GECIGKDFAE KHLIPK

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 0.4 mM [U-99% 13C; U-99% 15N] NttA, 50 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	NttA	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 6XTT, Strand ID: B Detail

Release date

2020-07-18

Citation

Structure, Dynamics and Cellular Insight Into Novel Substrates of the Legionella pneumophila Type II Secretion System
Portlock, T.J., Tyson, J.Y., Dantu, S.C., Rehman, S., White, R.C., McIntire, I.E., Sewell, L., Richardson, K., Shaw, R., Pandini, A., Cianciotto, N.P., Garnett, J.A.
Front. Mol. Biosci. (2020), 7, 112-112, PubMed 32656228 , DOI 10.3389/fmolb.2020.00112 , Abstract

Related entities 1. Uncharacterized protein, : 1 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 0.4 mM [U-99% 13C; U-99% 15N] NttA, 50 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	NttA	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM

2 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NttA	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM

3 3D HNCO

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NttA	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM

4 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NttA	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM

5 3D CCH-TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NttA	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM

6 3D HNCA

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NttA	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM

7 3D HN(CO)CA

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NttA	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM

8 3D HNCACB

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NttA	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM

9 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NttA	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM

10 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NttA	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM

11 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	NttA	[U-99% 13C; U-99% 15N]	0.4 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34480_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:42:CYS:SG	1:65:CYS:SG	oxidized, CA 60.415, CB 40.946 ppm	oxidized, CA 61.219, CB 38.634 ppm	n/a
1:76:CYS:SG	1:103:CYS:SG	oxidized, CA 60.661, CB 42.867 ppm	oxidized, CA 60.401, CB 38.353 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr34480_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1342		94.0 (chain: 1, length: 116)
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: 116, Sequence coverage: 94.0%
- Total number of assignments
  - ¹H chemical shifts: 754
  - ¹³C chemical shifts: 485
  - ¹⁵N chemical shifts: 103
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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	711	648	91.1
¹³C chemical shifts	528	485	91.9
¹⁵N chemical shifts	120	103	85.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	230	215	93.5
¹³C chemical shifts	232	215	92.7
¹⁵N chemical shifts	109	101	92.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	481	433	90.0
¹³C chemical shifts	296	270	91.2
¹⁵N chemical shifts	11	2	18.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	56	53	94.6
¹³C chemical shifts	56	54	96.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	49	34	69.4
¹³C chemical shifts	47	30	63.8
¹⁵N chemical shifts	2	2	100.0

Keywords Legionella pneumophila, Type II Secretion System, UNKNOWN FUNCTION, Virulence factor

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Found 1 Document (0.396 seconds)

BMRB: 34480

Sample

Related entities 1. Uncharacterized protein, : 1 entities Detail

Experiments performed 11 experiments Detail

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Chemical shift validation 3 contents Detail