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Found 1 Document (0.664 seconds)

BMRB: 18986

2M45

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

Authors

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

Assembly

C-terminus of the minichromosome maintenance protein MCM

Entity

1. C-terminus of the minichromosome maintenance protein MCM (polymer), 87 monomers, 9657.272 Da Detail

GSHMGESGKI DIDTIMTGKP KSAREKMMKI IEIIDSLAVS SECAKVKDIL KEAQQVGIEK SNIEKLLTDM RKSGIIYEAK PECYKKV

Formula weight

9657.272 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS43:SG	1:CYS83:SG

Source organism

Saccharolobus solfataricus

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.1 %, Completeness (bb): 97.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.1 % (995 of 1025)	96.1 % (521 of 542)	99.0 % (391 of 395)	94.3 % (83 of 88)
Backbone	97.5 % (505 of 518)	96.1 % (171 of 178)	98.4 % (251 of 255)	97.6 % (83 of 85)
Sidechain	97.1 % (571 of 588)	96.2 % (350 of 364)	100.0 % (221 of 221)	0.0 % (0 of 3)
Aromatic	100.0 % (20 of 20)	100.0 % (10 of 10)	100.0 % (10 of 10)
Methyl	100.0 % (96 of 96)	100.0 % (48 of 48)	100.0 % (48 of 48)

1. C-terminus of the minichromosome maintenance protein MCM

GSHMGESGKI DIDTIMTGKP KSAREKMMKI IEIIDSLAVS SECAKVKDIL KEAQQVGIEK SNIEKLLTDM RKSGIIYEAK PECYKKV

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
2	potassium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.05 w/v

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
5	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
6	potassium phosphate	natural abundance	10 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.05 w/v

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: 0.0 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: 0.0 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: -0.01 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: -0.07 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M45, 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

Related entities 1. C-terminus of the minichromosome maintenance protein MCM, : 1 : 2 : 19 entities Detail

Interaction partners 1. C-terminus of the minichromosome maintenance protein MCM, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
2	potassium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.05 w/v

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
5	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
6	potassium phosphate	natural abundance	10 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.05 w/v

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
5	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
6	potassium phosphate	natural abundance	10 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.05 w/v

4 3D HNCACB

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
2	potassium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.05 w/v

5 3D HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
2	potassium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.05 w/v

6 3D HCACO

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
2	potassium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.05 w/v

7 3D HNHA

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
2	potassium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.05 w/v

8 3D HCCH-COSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
5	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
6	potassium phosphate	natural abundance	10 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.05 w/v

9 3D 1H-15N TOCSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
2	potassium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.05 w/v

10 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
2	potassium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.05 w/v

11 3D 1H-13C NOESY aliphatic

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
5	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
6	potassium phosphate	natural abundance	10 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.05 w/v

12 3D 1H-13C NOESY aliphatic

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
2	potassium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	sodium azide	natural abundance	0.05 w/v

13 3D 1H-13C NOESY aromatic

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.2

#	Name	Isotope labeling	Concentration
5	C-terminus of the minichromosome maintenance protein MCM	[U-100% 13C; U-100% 15N]	700 uM
6	potassium phosphate	natural abundance	10 mM
7	sodium chloride	natural abundance	150 mM
8	sodium azide	natural abundance	0.05 w/v

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18986_2m45.nef
Input source #2: Coordindates	2m45.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
A:642:CYS:SG	A:682:CYS:SG	oxidized, CA 53.666, CB 44.081 ppm	oxidized, CA 56.964, CB 48.015 ppm	2.037

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

600-----610-------620-------630-------640-------650-------660-------670-------680------
GSHMGESGKIDIDTIMTGKPKSAREKMMKIIEIIDSLAVSSECAKVKDILKEAQQVGIEKSNIEKLLTDMRKSGIIYEAKPECYKKV
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSHMGESGKIDIDTIMTGKPKSAREKMMKIIEIIDSLAVSSECAKVKDILKEAQQVGIEKSNIEKLLTDMRKSGIIYEAKPECYKKV
--------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	87	0	0	100.0

Content subtype: combined_18986_2m45.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	1004		100.0 (chain: A, length: 87)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	2881 (1)	noe	95.4 (chain: A, length: 87)
2	Distance restraints	DYANA/DIANA_distance_constraints_3	OK	80 (1)	hbond	66.7 (chain: A, length: 87)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_4	Warning	280 (274)	.	87.4 (chain: A, length: 87)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 87, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 531
  - ¹³C chemical shifts: 391
  - ¹⁵N chemical shifts: 82
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	542	531	98.0
¹³C chemical shifts	395	391	99.0
¹⁵N chemical shifts	90	82	91.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	178	175	98.3
¹³C chemical shifts	174	170	97.7
¹⁵N chemical shifts	85	82	96.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	364	356	97.8
¹³C chemical shifts	221	221	100.0
¹⁵N chemical shifts	5	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	10	10	100.0
¹³C chemical shifts	10	10	100.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 87, Sequence coverage: 95.4%
- Total number of restraints: 2872
- Weight of restraints: 1.0 (2872)
- Potential type of restraints: upper-bound-parabolic (2872)
- Range of distance target values: 2.52, 9.94 (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: 87, Sequence coverage: 66.7%
  - Total number of restraints: 80
  - Weight of restraints: 1.0 (80)
  - Potential type of restraints: upper-bound-parabolic (80)
  - 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: 87, Sequence coverage: 87.4%
- Total number of restraints: 274
- Total number of restraints per polymer type: 274
- Weight of restraints: 1.0 (274)
- Potential type of restraints: square-well-parabolic (274)
- Plot of Phi-Psi angle restraints
- Plot of Chi1-Chi2 angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Archeal, MCM, Minichromosome maintenance protein, NMR solution structure, Sulfolobus solfataricus, Winged helix

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Found 1 Document (0.664 seconds)

BMRB: 18986

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. C-terminus of the minichromosome maintenance protein MCM, : 1 : 2 : 19 entities Detail

Interaction partners 1. C-terminus of the minichromosome maintenance protein MCM, : 2 interactors Detail

Experiments performed 13 experiments Detail

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NMR combined restraints 5 contents Detail