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BMRB: 25148

2MT4

NTD-NUSA

Authors

Mobli, M., Lewis, P.J.

Assembly

NTD-NUSA

Entity

1. NTD-NUSA (polymer, Thiol state: not present), 124 monomers, 14001.70 Da Detail

MSSELLDALT ILEKEKGISK EIIIEAIEAA LISAYKRNFN QAQNVRVDLN RETGSIRVFA RKDVVDEVYD QRLEISIEEA QGIHPEYMVG DVVEIEVTPK DFGRIAAQTA KQVVTQRVRE AERG

Formula weight

14001.7 Da

Source organism

Bacillus subtilis

Exptl. method

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.6 %, Completeness: 94.5 %, Completeness (bb): 93.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.5 % (1363 of 1443)	94.3 % (709 of 752)	95.3 % (532 of 558)	91.7 % (122 of 133)
Backbone	93.6 % (693 of 740)	93.7 % (236 of 252)	94.5 % (346 of 366)	91.0 % (111 of 122)
Sidechain	95.5 % (784 of 821)	94.6 % (473 of 500)	96.8 % (300 of 310)	100.0 % (11 of 11)
Aromatic	100.0 % (58 of 58)	100.0 % (29 of 29)	100.0 % (29 of 29)
Methyl	100.0 % (166 of 166)	100.0 % (83 of 83)	100.0 % (83 of 83)

1. NTD-NUSA

MSSELLDALT ILEKEKGISK EIIIEAIEAA LISAYKRNFN QAQNVRVDLN RETGSIRVFA RKDVVDEVYD QRLEISIEEA QGIHPEYMVG DVVEIEVTPK DFGRIAAQTA KQVVTQRVRE AERG

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	NTD-NUSA	[U-99% 13C; U-99% 15N]		400 uM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM

LACS Plot; CA

Referencing offset: -0.28 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.28 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.03 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: -0.02 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MT4, Strand ID: A Detail

Release date

2015-02-15

Citation

RNA polymerase-induced remodelling of NusA produces a pause enhancement complex
Mobli, M., Ma, C., Yang, X., Keller, A., King, G.F., Lewis, P.J.
Nucleic Acids Res. (2015), 43, 2829-2840, PubMed 25690895 , DOI 10.1093/nar/gkv108 , Abstract

Related entities 1. NTD-NUSA, : 1 : 1 : 26 entities Detail

Interaction partners 1. NTD-NUSA, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz Equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	NTD-NUSA	[U-99% 13C; U-99% 15N]		400 uM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 900 MHz Equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	NTD-NUSA	[U-99% 13C; U-99% 15N]		400 uM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM

3 3D HNCO

Instrument

Bruker Avance - 900 MHz Equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	NTD-NUSA	[U-99% 13C; U-99% 15N]		400 uM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM

4 3D HBHA(CO)NH

Instrument

Bruker Avance - 900 MHz Equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	NTD-NUSA	[U-99% 13C; U-99% 15N]		400 uM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM

5 3D HCCH-TOCSY

Instrument

Bruker Avance - 900 MHz Equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	NTD-NUSA	[U-99% 13C; U-99% 15N]		400 uM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM

6 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz Equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	NTD-NUSA	[U-99% 13C; U-99% 15N]		400 uM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM

7 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 900 MHz Equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	NTD-NUSA	[U-99% 13C; U-99% 15N]		400 uM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM

8 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 900 MHz Equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	NTD-NUSA	[U-99% 13C; U-99% 15N]		400 uM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM

9 3D HNCACB

Instrument

Bruker Avance - 900 MHz Equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	NTD-NUSA	[U-99% 13C; U-99% 15N]		400 uM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM

10 3D CBCA(CO)NH

Instrument

Bruker Avance - 900 MHz Equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	NTD-NUSA	[U-99% 13C; U-99% 15N]		400 uM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM

11 3D HN(CA)CO

Instrument

Bruker Avance - 900 MHz Equipped with cryo-probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8

#	Name	Isotope labeling	Type	Concentration
1	NTD-NUSA	[U-99% 13C; U-99% 15N]		400 uM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		150 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25148_2mt4.nef
Input source #2: Coordindates	2mt4.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
MSSELLDALTILEKEKGISKEIIIEAIEAALISAYKRNFNQAQNVRVDLNRETGSIRVFARKDVVDEVYDQRLEISIEEAQGIHPEYMVGDVVEIEVTPK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSSELLDALTILEKEKGISKEIIIEAIEAALISAYKRNFNQAQNVRVDLNRETGSIRVFARKDVVDEVYDQRLEISIEEAQGIHPEYMVGDVVEIEVTPK

-------110-------120----
DFGRIAAQTAKQVVTQRVREAERG
||||||||||||||||||||||||
DFGRIAAQTAKQVVTQRVREAERG

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	124	0	0	100.0

Content subtype: combined_25148_2mt4.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1361		97.6 (chain: A, length: 124)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	3323 (1)	noe	96.0 (chain: A, length: 124)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	230 (230)	.	98.4 (chain: A, length: 124)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 97.6%
- Total number of assignments
  - ¹H chemical shifts: 710
  - ¹³C chemical shifts: 530
  - ¹⁵N chemical shifts: 121
- 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: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 96.0%
- Total number of restraints: 3308
- Weight of restraints: 1.0 (3308)
- Potential type of restraints: upper-bound-parabolic (3308)
- Range of distance target values: 2.4, 5.95 (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: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 124, Sequence coverage: 98.4%
- Total number of restraints: 230
- Total number of restraints per polymer type: 230
- Weight of restraints: 1.0 (230)
- Potential type of restraints: square-well-parabolic (230)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Transcription factor, NUSA, RNA Polymerase, B. Subtilis