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BMRB: 15642

2K06

Solution structure of the aminoterminal domain of E. coli NusG

Authors

Schweimer, K., Scheckenhofer, U., Roesch, P.

Assembly

NusG

Entity

1. NusG (polymer, Thiol state: not present), 123 monomers, 14074.07 Da Detail

MSEAPKKRWY VVQAFSGFEG RVATSLREHI KLHNMEDLFG EVMVPTEEVV EIRGGQRRKS ERKFFPGYVL VQMVMNDASW HLVRSVPRVM GFIGGTSDRP APISDKEVDA IMNRLQQVGD KPR

Formula weight

14074.07 Da

Source organism

Escherichia coli

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.9 %, Completeness (bb): 96.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.9 % (1301 of 1463)	86.9 % (669 of 770)	89.9 % (510 of 567)	96.8 % (122 of 126)
Backbone	96.0 % (695 of 724)	96.4 % (240 of 249)	94.7 % (340 of 359)	99.1 % (115 of 116)
Sidechain	83.1 % (708 of 852)	82.3 % (429 of 521)	84.7 % (272 of 321)	70.0 % (7 of 10)
Aromatic	79.5 % (89 of 112)	83.9 % (47 of 56)	74.1 % (40 of 54)	100.0 % (2 of 2)
Methyl	95.9 % (117 of 122)	93.4 % (57 of 61)	98.4 % (60 of 61)

1. NusG

MSEAPKKRWY VVQAFSGFEG RVATSLREHI KLHNMEDLFG EVMVPTEEVV EIRGGQRRKS ERKFFPGYVL VQMVMNDASW HLVRSVPRVM GFIGGTSDRP APISDKEVDA IMNRLQQVGD KPR

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-98% 13C; U-98% 15N]		0.4 mM
2	potassium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O			90 %

LACS Plot; CA

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.09 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K06, Strand ID: A Detail

Release date

2009-06-09

Citation

Two structurally independent domains of E. coli NusG create regulatory plasticity via distinct interactions with RNA polymerase and regulators
Mooney, R., Schweimer, K., Roesch, P., Gottesman, M., Landick, R.
J. Mol. Biol. (2009), 391, 341-358, PubMed 19500594 , DOI 10.1016/j.jmb.2009.05.078 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 15490 released on 2009-06-09
Title Solution Structure of E coli NusG carboxyterminal domain

Related entities 1. NusG, : 1 : 5 : 1 : 48 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-98% 13C; U-98% 15N]		0.4 mM
2	potassium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O			90 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-98% 13C; U-98% 15N]		0.4 mM
2	potassium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O			90 %

3 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-98% 13C; U-98% 15N]		0.4 mM
2	potassium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O			90 %

4 3D HNCA

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-98% 13C; U-98% 15N]		0.4 mM
2	potassium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O			90 %

5 3D HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-98% 13C; U-98% 15N]		0.4 mM
2	potassium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O			90 %

6 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-98% 13C; U-98% 15N]		0.4 mM
2	potassium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O			90 %

7 3D HCCH-TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-98% 13C; U-98% 15N]		0.4 mM
2	potassium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O			90 %

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-98% 13C; U-98% 15N]		0.4 mM
2	potassium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O			90 %

9 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-98% 13C; U-98% 15N]		0.4 mM
2	potassium phosphate	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O			90 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15642_2k06.nef
Input source #2: Coordindates	2k06.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): A

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

-------110-------120---
APISDKEVDAIMNRLQQVGDKPR
|||||||||||||||||||||||
APISDKEVDAIMNRLQQVGDKPR

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	123	0	0	100.0

Content subtype: combined_15642_2k06.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1283		100.0 (chain: A, length: 123)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	993 (1)	noe	90.2 (chain: A, length: 123)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	Warning	8 (8)	.	4.1 (chain: A, length: 123)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 123, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 499
  - ¹H chemical shifts: 662
  - ¹⁵N chemical shifts: 122
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 123, Sequence coverage: 90.2%
- Total number of restraints: 993
- Weight of restraints: 1.0 (993)
- Potential type of restraints: square-well-parabolic (993)
- Range of distance target values: 1.35, 3.0 (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: Warning
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 123, Sequence coverage: 4.1%
- Total number of restraints: 8
- Total number of restraints per polymer type: 8
- Weight of restraints: 1.0 (8)
- Potential type of restraints: square-well-parabolic (8)
- Dihedral angle restraints per residue