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BMRB: 19274

2M8U

Solution structure of the Dictyostelium discodieum Myosin Light Chain, MlcC

Authors

Liburd, J.D., Miller, E., Langelaan, D., Chitayat, S., Crawley, S.W., Cote, G.P., Smith, S.P.

Assembly

Dictyostelium discodieum Myosin Light Chain, MlcC

Entity

1. Dictyostelium discodieum Myosin Light Chain, MlcC (polymer, Thiol state: not present), 77 monomers, 8910.893 Da Detail

GSHMNHINTK AQVIEAFKVF DRDGNGYVTV DYLRKVLNEL GDMMPADEIE EMIYEADPQN SGYVQYETFV GMLFLWD

Formula weight

8910.893 Da

Source organism

Escherichia coli

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.7 %, Completeness: 93.4 %, Completeness (bb): 95.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.4 % (846 of 906)	94.2 % (440 of 467)	91.5 % (325 of 355)	96.4 % (81 of 84)
Backbone	95.6 % (438 of 458)	96.2 % (152 of 158)	95.1 % (214 of 225)	96.0 % (72 of 75)
Sidechain	92.3 % (479 of 519)	93.2 % (288 of 309)	90.5 % (182 of 201)	100.0 % (9 of 9)
Aromatic	72.0 % (72 of 100)	72.0 % (36 of 50)	71.4 % (35 of 49)	100.0 % (1 of 1)
Methyl	100.0 % (78 of 78)	100.0 % (39 of 39)	100.0 % (39 of 39)

1. entity

GSHMNHINTK AQVIEAFKVF DRDGNGYVTV DYLRKVLNEL GDMMPADEIE EMIYEADPQN SGYVQYETFV GMLFLWD

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1 mM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O	natural abundance		90 %

LACS Plot; CA

Referencing offset: -0.16 ppm, Outliers: 3 Detail

LACS Plot; CB

Referencing offset: -0.16 ppm, Outliers: 3 Detail

LACS Plot; HA

Referencing offset: -0.07 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: -0.35 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M8U, Strand ID: A Detail

Release date

2014-12-21

Citation

Solution Structure of the Dictyostelium discodieum Myosin Light Chain, MlcC
Liburd, J.D., Miller, E., Langelaan, D., Chitayat, S., Crawley, S.W., Cote, G.P., Smith, S.P.
Not known

Related entities 1. Dictyostelium discodieum Myosin Light Chain, MlcC, : 1 : 1 : 1 : 482 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1 mM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O	natural abundance		90 %

2 3D CBCA(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1 mM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O	natural abundance		90 %

3 3D HNCO

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1 mM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O	natural abundance		90 %

4 3D HNCACB

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1 mM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O	natural abundance		90 %

5 3D 1H-15N NOESY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1 mM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O	natural abundance		90 %

6 3D 1H-13C NOESY aliphatic

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1 mM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O	natural abundance		90 %

7 3D 1H-13C NOESY aromatic

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1 mM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O	natural abundance		90 %

8 3D HCCH-TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1 mM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O	natural abundance		90 %

9 3D H(CCO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1 mM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O	natural abundance		90 %

10 3D C(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance		1 mM
2	HEPES	natural abundance		10 mM
3	sodium chloride	natural abundance		50 mM
4	D2O	[U-100% 2H]		10 %
5	H2O	natural abundance		90 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19274_2m8u.nef
Input source #2: Coordindates	2m8u.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-------
GSHMNHINTKAQVIEAFKVFDRDGNGYVTVDYLRKVLNELGDMMPADEIEEMIYEADPQNSGYVQYETFVGMLFLWD
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSHMNHINTKAQVIEAFKVFDRDGNGYVTVDYLRKVLNELGDMMPADEIEEMIYEADPQNSGYVQYETFVGMLFLWD

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	77	0	0	100.0

Content subtype: combined_19274_2m8u.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	832		97.4 (chain: A, length: 77)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1607 (1)	noe	93.5 (chain: A, length: 77)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	120 (120)	.	88.3 (chain: A, length: 77)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 77, Sequence coverage: 97.4%
- Total number of assignments
  - ¹H chemical shifts: 431
  - ¹³C chemical shifts: 320
  - ¹⁵N chemical shifts: 81
- 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

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 77, Sequence coverage: 93.5%
- Total number of restraints: 1607
- Weight of restraints: 1.0 (1607)
- Potential type of restraints: square-well-parabolic (1607)
- Range of distance target values: 2.25, 3.9 (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: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 77, Sequence coverage: 88.3%
- Total number of restraints: 120
- Total number of restraints per polymer type: 120
- Weight of restraints: 1.0 (120)
- Potential type of restraints: square-well-parabolic (120)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords helical bundle, myosin light chain