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BMRB: 18770

2LZR

TatA T22P

Authors

Rodriguez, F.M., Berks, B.C., Schnell, J.R.

Assembly

TatA T22P

Entity

1. TatA T22P (polymer, Thiol state: not present), 49 monomers, 5171.166 Da Detail

XGGISIWQLL IIAVIVVLLF GPKKLGSIGS DLGASIKGFK KAMSDDEPK

Formula weight

5171.166 Da

Source organism

Escherichia coli

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.0 %, Completeness: 81.1 %, Completeness (bb): 86.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.1 % (456 of 562)	89.3 % (260 of 291)	66.8 % (149 of 223)	97.9 % (47 of 48)
Backbone	86.3 % (245 of 284)	100.0 % (101 of 101)	71.5 % (98 of 137)	100.0 % (46 of 46)
Sidechain	68.3 % (218 of 319)	83.7 % (159 of 190)	45.7 % (58 of 127)	50.0 % (1 of 2)
Aromatic	90.6 % (29 of 32)	81.3 % (13 of 16)	100.0 % (15 of 15)	100.0 % (1 of 1)
Methyl	100.0 % (70 of 70)	100.0 % (35 of 35)	100.0 % (35 of 35)

1. TatA T22P

XGGISIWQLL IIAVIVVLLF GPKKLGSIGS DLGASIKGFK KAMSDDEPK

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	TatA_T22P	[U-100% 15N]		0.5 mM
2	DPC	natural abundance		240 mM
3	H2O	natural abundance		95 %
4	D2O	natural abundance		5 %
5	sodium phosphate	natural abundance		0.05 M

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
6	TatA_T22P	[U-100% 13C; U-100% 15N]		0.5 mM
7	DPC	natural abundance		240 mM
8	H2O	natural abundance		95 %
9	D2O	natural abundance		5 %
10	sodium phosphate	natural abundance		0.05 M

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
11	TatA_T22P	[U-100% 13C; U-100% 15N]		0.5 mM
12	DPC	[U-100% 2H]		240 mM
13	H2O	natural abundance		95 %
14	D2O	natural abundance		5 %
15	sodium phosphate	natural abundance		0.05 M

Protein Blocks Logo

Calculated from 10 models in PDB: 2LZR, Strand ID: A Detail

Release date

2013-03-17

Citation

Structural model for the protein-translocating element of the twin-arginine transport system
Rodriguez, F., Rouse, S.L., Tait, C.E., Harmer, J., De Riso, A., Timmel, C.R., Sansom, M.S.P., Berks, B.C., Schnell, J.R.
Proc. Natl. Acad. Sci. U. S. A. (2013), 110, E1092-E1101, PubMed 23471988 , DOI 10.1073/pnas.1219486110 , Abstract

Related entities 1. TatA T22P, : 1 : 5 : 119 entities Detail

Interaction partners 1. TatA T22P, : 3 interactors Detail

More details for 3 interactors identified by 2 citations

Experiments performed 7 experiments Detail

1 3D HNCA

Instrument

Home-built OMEGA - 950 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
6	TatA_T22P	[U-100% 13C; U-100% 15N]		0.5 mM
7	DPC	natural abundance		240 mM
8	H2O	natural abundance		95 %
9	D2O	natural abundance		5 %
10	sodium phosphate	natural abundance		0.05 M

2 3D HNCO

Instrument

Home-built OMEGA - 950 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
6	TatA_T22P	[U-100% 13C; U-100% 15N]		0.5 mM
7	DPC	natural abundance		240 mM
8	H2O	natural abundance		95 %
9	D2O	natural abundance		5 %
10	sodium phosphate	natural abundance		0.05 M

3 3D 1H-15N NOESY

Instrument

Home-built OMEGA - 950 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	TatA_T22P	[U-100% 15N]		0.5 mM
2	DPC	natural abundance		240 mM
3	H2O	natural abundance		95 %
4	D2O	natural abundance		5 %
5	sodium phosphate	natural abundance		0.05 M

4 3D 1H-15N TOCSY

Instrument

Home-built OMEGA - 950 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	TatA_T22P	[U-100% 15N]		0.5 mM
2	DPC	natural abundance		240 mM
3	H2O	natural abundance		95 %
4	D2O	natural abundance		5 %
5	sodium phosphate	natural abundance		0.05 M

5 3D 1H-13C NOESY aliphatic

Instrument

Home-built OMEGA - 950 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
11	TatA_T22P	[U-100% 13C; U-100% 15N]		0.5 mM
12	DPC	[U-100% 2H]		240 mM
13	H2O	natural abundance		95 %
14	D2O	natural abundance		5 %
15	sodium phosphate	natural abundance		0.05 M

6 3D 1H-13C NOESY aromatic

Instrument

Home-built OMEGA - 950 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
11	TatA_T22P	[U-100% 13C; U-100% 15N]		0.5 mM
12	DPC	[U-100% 2H]		240 mM
13	H2O	natural abundance		95 %
14	D2O	natural abundance		5 %
15	sodium phosphate	natural abundance		0.05 M

7 3D HNCO

Instrument

Home-built OMEGA - 950 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
6	TatA_T22P	[U-100% 13C; U-100% 15N]		0.5 mM
7	DPC	natural abundance		240 mM
8	H2O	natural abundance		95 %
9	D2O	natural abundance		5 %
10	sodium phosphate	natural abundance		0.05 M

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_18770_2lzr.nef
Input source #2: Coordindates	2lzr.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:1:FME:C	1:2:GLY:N	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
A	1	FME	N-FORMYLMETHIONINE	Assigned chemical shifts, Coordinates

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50-----
XGGISIWQLLIIAVIVVLLFGPKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||
XGGISIWQLLIIAVIVVLLFGPKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	55	0	0	100.0

Content subtype: combined_18770_2lzr.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	1		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	459		89.1 (chain: A, length: 55)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	640 (1)	noe	81.8 (chain: A, length: 55)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	91 (91)	.	72.7 (chain: A, length: 55)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_5	OK	66 (66)	.	69.1 (chain: A, length: 55)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 55, Sequence coverage: 89.1%
- Total number of assignments
  - ¹H chemical shifts: 267
  - ¹³C chemical shifts: 144
  - ¹⁵N chemical shifts: 48
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 55, Sequence coverage: 81.8%
- Total number of restraints: 639
- Weight of restraints: 1.0 (639)
- Potential type of restraints: square-well-parabolic (639)
- Range of distance target values: 2.25, 6.0 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 55, Sequence coverage: 72.7%
- Total number of restraints: 91
- Total number of restraints per polymer type: 91
- Weight of restraints: 1.0 (91)
- Potential type of restraints: square-well-parabolic (91)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_5
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 55, Sequence coverage: 69.1%
- Total number of restraints: 66
- Potential type of restraints: undefined (66)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue
  - Chain_ID: A
    None

Keywords TatA T22P in DPC