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BMRB: 19714

2MN6

Transport protein A

Authors

Zhang, Y., Hu, Y., Jin, C.

Assembly

Transport protein A

Entity

1. Transport protein A (polymer, Thiol state: all disulfide bound), 100 monomers, 11020.35 Da Detail

MCGMGGISIW QLLIIAVIVV LLFGTKKLGS IGSDLGASIK GFKKAMSDDE PKQDKTSQDA DFTAKTIADK QADTNQEQAK TEDAKRHDKE QVLEHHHHHH

Formula weight

11020.35 Da

Source organism

Escherichia coli

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.0 %, Completeness: 88.1 %, Completeness (bb): 91.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.1 % (1010 of 1147)	88.9 % (530 of 596)	87.4 % (387 of 443)	86.1 % (93 of 108)
Backbone	91.5 % (547 of 598)	93.2 % (193 of 207)	90.4 % (264 of 292)	90.9 % (90 of 99)
Sidechain	85.6 % (549 of 641)	86.6 % (337 of 389)	86.0 % (209 of 243)	33.3 % (3 of 9)
Aromatic	35.7 % (25 of 70)	40.0 % (14 of 35)	29.4 % (10 of 34)	100.0 % (1 of 1)
Methyl	97.2 % (103 of 106)	98.1 % (52 of 53)	96.2 % (51 of 53)

1. entity

MCGMGGISIW QLLIIAVIVV LLFGTKKLGS IGSDLGASIK GFKKAMSDDE PKQDKTSQDA DFTAKTIADK QADTNQEQAK TEDAKRHDKE QVLEHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	transport protein A	[U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		50 mM
3	DPC	natural abundance		80 mM
4	H2O	natural abundance		90 %
5	D2O	[U-100% 2H]		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
6	transport protein A	[U-100% 15N]		1 mM
7	sodium phosphate	natural abundance		50 mM
8	DPC	natural abundance		80 mM
9	H2O	natural abundance		90 %
10	D2O	[U-100% 2H]		10 %

LACS Plot; CA

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: -0.07 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MN6, Strand ID: A, B Detail

Release date

2015-04-12

Citation

Structural basis for TatA oligomerization: an NMR study of Escherichia coli TatA dimeric structure
Zhang, Y., Hu, Y., Li, H., Jin, C.
PLoS One (2014), 9, e103157-e103157, PubMed 25090434 , DOI 10.1371/journal.pone.0103157 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 19881 released on 2015-04-12
Title transport protein m

Related entities 1. Transport protein A, : 1 : 3 : 37 entities Detail

Interaction partners 1. Transport protein A, : 4 interactors Detail

More details for 4 interactors identified by 2 citations

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	transport protein A	[U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		50 mM
3	DPC	natural abundance		80 mM
4	H2O	natural abundance		90 %
5	D2O	[U-100% 2H]		10 %

2 3D HNCA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
6	transport protein A	[U-100% 15N]		1 mM
7	sodium phosphate	natural abundance		50 mM
8	DPC	natural abundance		80 mM
9	H2O	natural abundance		90 %
10	D2O	[U-100% 2H]		10 %

3 3D HNCO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
6	transport protein A	[U-100% 15N]		1 mM
7	sodium phosphate	natural abundance		50 mM
8	DPC	natural abundance		80 mM
9	H2O	natural abundance		90 %
10	D2O	[U-100% 2H]		10 %

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
6	transport protein A	[U-100% 15N]		1 mM
7	sodium phosphate	natural abundance		50 mM
8	DPC	natural abundance		80 mM
9	H2O	natural abundance		90 %
10	D2O	[U-100% 2H]		10 %

5 3D HCCH-TOCSY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
6	transport protein A	[U-100% 15N]		1 mM
7	sodium phosphate	natural abundance		50 mM
8	DPC	natural abundance		80 mM
9	H2O	natural abundance		90 %
10	D2O	[U-100% 2H]		10 %

6 3D 1H-15N NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
6	transport protein A	[U-100% 15N]		1 mM
7	sodium phosphate	natural abundance		50 mM
8	DPC	natural abundance		80 mM
9	H2O	natural abundance		90 %
10	D2O	[U-100% 2H]		10 %

7 3D 1H-13C NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
6	transport protein A	[U-100% 15N]		1 mM
7	sodium phosphate	natural abundance		50 mM
8	DPC	natural abundance		80 mM
9	H2O	natural abundance		90 %
10	D2O	[U-100% 2H]		10 %

8 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
6	transport protein A	[U-100% 15N]		1 mM
7	sodium phosphate	natural abundance		50 mM
8	DPC	natural abundance		80 mM
9	H2O	natural abundance		90 %
10	D2O	[U-100% 2H]		10 %

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19714_2mn6.nef
Input source #2: Coordindates	2mn6.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	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

Sequence alignments

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

-----------10--------20--------30--------40--------50--------60--------70--------80--------90-------
MCGMGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKQDKTSQDADFTAKTIADKQADTNQEQAKTEDAKRHDKEQVLEHHHHHH
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MCGMGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKQDKTSQDADFTAKTIADKQADTNQEQAKTEDAKRHDKEQVLEHHHHHH
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

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

-----------10--------20--------30--------40--------50--------60--------70--------80--------90-------
MCGMGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKQDKTSQDADFTAKTIADKQADTNQEQAKTEDAKRHDKEQVLEHHHHHH
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MCGMGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKQDKTSQDADFTAKTIADKQADTNQEQAKTEDAKRHDKEQVLEHHHHHH
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	B	100	0	0	100.0
B	A	100	0	0	100.0

Content subtype: combined_19714_2mn6.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	988		91.0 (chain: B, length: 100)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	166 (1)	noe	22.0 (chain: A, length: 100), 23.0 (chain: B, length: 100)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	Warning	166 (1)	noe	22.0 (chain: A, length: 100), 23.0 (chain: B, length: 100)
3	Distance restraints	CNS/XPLOR_distance_constraints_5	Warning	7248 (1)	noe	41.0 (chain: A, length: 100), 41.0 (chain: B, length: 100)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	130 (130)	.	37.0 (chain: A, length: 100), 37.0 (chain: B, length: 100)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: B, Chain length: 100, Sequence coverage: 91.0%
- Total number of assignments
  - ¹H chemical shifts: 520
  - ¹³C chemical shifts: 378
  - ¹⁵N chemical shifts: 90
- Completeness of assignments
  - Entity_assemble_ID: B
- Peptide bond of PRO
- 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: B

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 100, Sequence coverage: 22.0%
  - Entity_assembly_ID: B, Chain length: 100, Sequence coverage: 23.0%
- Total number of restraints: 166
- Weight of restraints: 1.0 (166)
- Potential type of restraints: square-well-parabolic (166)
- Range of distance target values: 3.15, 3.9 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: Warning
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 100, Sequence coverage: 22.0%
    - Entity_assembly_ID: B, Chain length: 100, Sequence coverage: 23.0%
  - Total number of restraints: 166
  - Weight of restraints: 1.0 (166)
  - Potential type of restraints: square-well-parabolic (166)
  - Range of distance target values: 3.15, 4.15 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
  - Distance restraints on contact map
  - Saveframe: CNS/XPLOR_distance_constraints_5
    - Status: Warning
    - Experiment type: noe
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 100, Sequence coverage: 41.0%
      - Entity_assembly_ID: B, Chain length: 100, Sequence coverage: 41.0%
    - Total number of restraints: 7066
    - Weight of restraints: 1.0 (7066)
    - Potential type of restraints: square-well-parabolic (7066)
    - Range of distance target values: 1.95, 4.65 (Å)
    - Histogram of distance target values
    - Histogram of discrepancy in distance target values
    - Distance restraints per residue
      - Chain_ID: A
      - Chain_ID: B
    - 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: 100, Sequence coverage: 37.0%
  - Entity_assembly_ID: B, Chain length: 100, Sequence coverage: 37.0%
- Total number of restraints: 130
- Total number of restraints per polymer type: 130
- Weight of restraints: 1.0 (130)
- Potential type of restraints: square-well-parabolic (130)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue