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Found 1 Document (0.744 seconds)

BMRB: 19187

2MA3

1H, 13C, and 15N Chemical Shift Assignments for the C-terminus of the minichromosome maintenance protein MCM from Methanothermobacter thermautotrophicus

Authors

Wiedemann, C., Ohlenschlager, O., Medagli, B., Onesti, S., Gorlach, M.

Assembly

Methanothermobacter thermautotrophicus MCM C-terminus

Entity

1. Methanothermobacter thermautotrophicus MCM C-terminus (polymer, Thiol state: not present), 88 monomers, 10119.52 Da Detail

GAMGETGKID IDKVEGRTPK SERDKFRLLL ELIKEYEDDY GGRAPTNILI TEMMDRYNVS EEKVEELIRI LKDKGAIFEP ARGYLKIV

Formula weight

10119.52 Da

Source organism

Methanothermobacter thermautotrophicus

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 97.8 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.8 % (1030 of 1053)	97.3 % (541 of 556)	98.8 % (405 of 410)	96.6 % (84 of 87)
Backbone	98.3 % (513 of 522)	97.8 % (177 of 181)	98.8 % (253 of 256)	97.6 % (83 of 85)
Sidechain	97.7 % (597 of 611)	97.1 % (364 of 375)	99.1 % (232 of 234)	50.0 % (1 of 2)
Aromatic	92.3 % (48 of 52)	92.3 % (24 of 26)	92.3 % (24 of 26)
Methyl	100.0 % (100 of 100)	100.0 % (50 of 50)	100.0 % (50 of 50)

1. C-terminus MCM

GAMGETGKID IDKVEGRTPK SERDKFRLLL ELIKEYEDDY GGRAPTNILI TEMMDRYNVS EEKVEELIRI LKDKGAIFEP ARGYLKIV

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	H20	natural abundance	90 %
5	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
6	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
7	sodium phosphate	natural abundance	10 mM
8	sodium chloride	natural abundance	150 mM
9	D2O	natural abundance	100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.5 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MA3, Strand ID: A Detail

Release date

2013-09-29

Citation

¹H, ¹⁵N, and ¹³C chemical shift assignments for the winged helix domains of two archeal MCM C-termini
Wiedemann, C., Ohlenschlager, O., Medagli, B., Onesti, S., Gorlach, M.
Biomol. NMR Assign. (2014), 8, 357-360, PubMed 23934138 , DOI 10.1007/s12104-013-9516-0 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 18986 released on 2013-09-29
Title 1H, 13C, and 15N Chemical Shift Assignments for the C-terminus of the minichromosome maintenance protein MCM from Sulfolobus solfataricus

Related entities 1. Methanothermobacter thermautotrophicus MCM C-terminus, : 1 : 19 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	H20	natural abundance	90 %
5	D2O	natural abundance	10 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
6	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
7	sodium phosphate	natural abundance	10 mM
8	sodium chloride	natural abundance	150 mM
9	D2O	natural abundance	100 %

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
6	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
7	sodium phosphate	natural abundance	10 mM
8	sodium chloride	natural abundance	150 mM
9	D2O	natural abundance	100 %

4 3D HNCACB

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	H20	natural abundance	90 %
5	D2O	natural abundance	10 %

5 3D HNCO

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	H20	natural abundance	90 %
5	D2O	natural abundance	10 %

6 3D HCACO

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	H20	natural abundance	90 %
5	D2O	natural abundance	10 %

7 3D HNHA

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	H20	natural abundance	90 %
5	D2O	natural abundance	10 %

8 3D C(CO)NH

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	H20	natural abundance	90 %
5	D2O	natural abundance	10 %

9 3D H(CCO)NH

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	H20	natural abundance	90 %
5	D2O	natural abundance	10 %

10 3D 1H-15N TOCSY

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	H20	natural abundance	90 %
5	D2O	natural abundance	10 %

11 3D 1H-13C NOESY aliphatic

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
6	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
7	sodium phosphate	natural abundance	10 mM
8	sodium chloride	natural abundance	150 mM
9	D2O	natural abundance	100 %

12 3D 1H-13C NOESY aromatic

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
6	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
7	sodium phosphate	natural abundance	10 mM
8	sodium chloride	natural abundance	150 mM
9	D2O	natural abundance	100 %

13 3D 1H-13C NOESY aliphatic

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	H20	natural abundance	90 %
5	D2O	natural abundance	10 %

14 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	H20	natural abundance	90 %
5	D2O	natural abundance	10 %

15 2D 1H-13C HSQC

Instrument

Bruker AvanceIII - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM of Methanothermobacter thermautotrophicus	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	H20	natural abundance	90 %
5	D2O	natural abundance	10 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19187_2ma3.nef
Input source #2: Coordindates	2ma3.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

-580-----590-------600-------610-------620-------630-------640-------650-------660------
GAMGETGKIDIDKVEGRTPKSERDKFRLLLELIKEYEDDYGGRAPTNILITEMMDRYNVSEEKVEELIRILKDKGAIFEPARGYLKIV
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GAMGETGKIDIDKVEGRTPKSERDKFRLLLELIKEYEDDYGGRAPTNILITEMMDRYNVSEEKVEELIRILKDKGAIFEPARGYLKIV
--------10--------20--------30--------40--------50--------60--------70--------80--------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	88	0	0	100.0

Content subtype: combined_19187_2ma3.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1027		98.9 (chain: A, length: 88)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	2985 (1)	noe	96.6 (chain: A, length: 88)
2	Distance restraints	DYANA/DIANA_distance_constraints_3	OK	38 (1)	hbond	38.6 (chain: A, length: 88)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_4	Warning	301 (298)	.	95.5 (chain: A, length: 88)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 88, Sequence coverage: 98.9%
- Total number of assignments
  - ¹H chemical shifts: 539
  - ¹³C chemical shifts: 405
  - ¹⁵N chemical shifts: 83
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	556	539	96.9
¹³C chemical shifts	410	405	98.8
¹⁵N chemical shifts	94	83	88.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	181	177	97.8
¹³C chemical shifts	176	173	98.3
¹⁵N chemical shifts	85	83	97.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	375	362	96.5
¹³C chemical shifts	234	232	99.1
¹⁵N chemical shifts	9	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	53	53	100.0
¹³C chemical shifts	53	53	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	26	24	92.3
¹³C chemical shifts	26	24	92.3

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 88, Sequence coverage: 96.6%
- Total number of restraints: 2985
- Weight of restraints: 1.0 (2985)
- Potential type of restraints: upper-bound-parabolic (2985)
- Range of distance target values: 2.7, 12.09 (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
- Saveframe: DYANA/DIANA_distance_constraints_3
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 88, Sequence coverage: 38.6%
  - Total number of restraints: 38
  - Weight of restraints: 1.0 (38)
  - Potential type of restraints: upper-bound-parabolic (38)
  - Range of distance target values: 2.0, 3.0 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_4
- Status: Warning
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 88, Sequence coverage: 95.5%
- Total number of restraints: 298
- Total number of restraints per polymer type: 298
- Weight of restraints: 1.0 (298)
- Potential type of restraints: square-well-parabolic (298)
- Plot of Phi-Psi angle restraints
- Plot of Chi1-Chi2 angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

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Found 1 Document (0.744 seconds)

BMRB: 19187

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Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Methanothermobacter thermautotrophicus MCM C-terminus, : 1 : 19 entities Detail

Experiments performed 15 experiments Detail

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NMR combined restraints 5 contents Detail