BMRBj - BMREntryMaster

Found 1 Document (0.797 seconds)

BMRB: 19225

2M83

Solution structure of the carbohydrate binding module of the muscle glycogen-targeting subunit of Protein Phosphatase-1

Authors

Koveal, D., Page, R., Peti, W.

Assembly

GM CBM21

Entity

1. GM CBM21 (polymer, Thiol state: all free), 139 monomers, 15983.89 Da Detail

GHMQTEEYVL SPLFDLPASK EDLMQQLQVQ KAMLESTEYV PGSTSMKGII RVLNISFEKL VYVRMSLDDW QTHYDILAEY VPNSCDGETD QFSFKISLVP PYQKDGSKVE FCIRYETSVG TFWSNNNGTN YTLVCQKKE

Formula weight

15983.89 Da

Source organism

Oryctolagus cuniculus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 85.0 %, Completeness (bb): 82.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.0 % (1408 of 1657)	95.8 % (825 of 861)	68.1 % (440 of 646)	95.3 % (143 of 150)
Backbone	82.4 % (677 of 822)	96.8 % (270 of 279)	68.0 % (279 of 410)	96.2 % (128 of 133)
Sidechain	87.8 % (849 of 967)	94.0 % (547 of 582)	78.0 % (287 of 368)	88.2 % (15 of 17)
Aromatic	43.6 % (68 of 156)	79.5 % (62 of 78)	5.3 % (4 of 76)	100.0 % (2 of 2)
Methyl	100.0 % (140 of 140)	100.0 % (70 of 70)	100.0 % (70 of 70)

1. GM CBM21

GHMQTEEYVL SPLFDLPASK EDLMQQLQVQ KAMLESTEYV PGSTSMKGII RVLNISFEKL VYVRMSLDDW QTHYDILAEY VPNSCDGETD QFSFKISLVP PYQKDGSKVE FCIRYETSVG TFWSNNNGTN YTLVCQKKE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	GM_CBM21	[U-99% 15N]	0.8 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	10 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	GM_CBM21	[U-99% 13C; U-99% 15N]	0.8 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	DTT	natural abundance	10 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	GM_CBM21	natural abundance	0.8 mM
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	50 mM
16	DTT	natural abundance	10 mM
17	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: 0.07 ppm, Outliers: 3 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: 0.07 ppm, Outliers: 3 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: -0.05 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M83, Strand ID: A Detail

Release date

2014-05-11

Citation

Molecular basis for Protein Phosphatase-1 regulation by the muscle glycogen-targeting subunit GM
Koveal, D., Choy, M., Page, R., Peti, W.
Not known

Related entities 1. GM CBM21, : 1 : 1 : 50 entities Detail

Interaction partners 1. GM CBM21, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	GM_CBM21	[U-99% 15N]	0.8 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	10 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

2 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	GM_CBM21	[U-99% 13C; U-99% 15N]	0.8 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	DTT	natural abundance	10 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	GM_CBM21	[U-99% 13C; U-99% 15N]	0.8 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	DTT	natural abundance	10 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

4 3D HNCA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	GM_CBM21	[U-99% 13C; U-99% 15N]	0.8 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	DTT	natural abundance	10 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

5 3D (H)CC(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	GM_CBM21	[U-99% 13C; U-99% 15N]	0.8 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	DTT	natural abundance	10 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

6 3D HBHA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	GM_CBM21	[U-99% 13C; U-99% 15N]	0.8 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	DTT	natural abundance	10 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

7 3D HCCH-TOCSY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	GM_CBM21	[U-99% 13C; U-99% 15N]	0.8 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	DTT	natural abundance	10 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

8 2D 1H-1H NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	GM_CBM21	natural abundance	0.8 mM
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	50 mM
16	DTT	natural abundance	10 mM
17	D2O	natural abundance	100 %

9 2D 1H-1H TOCSY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	GM_CBM21	natural abundance	0.8 mM
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	50 mM
16	DTT	natural abundance	10 mM
17	D2O	natural abundance	100 %

10 2D 1H-1H COSY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	GM_CBM21	natural abundance	0.8 mM
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	50 mM
16	DTT	natural abundance	10 mM
17	D2O	natural abundance	100 %

11 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 6.5

#	Name	Isotope labeling	Concentration
1	GM_CBM21	[U-99% 15N]	0.8 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	10 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

12 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 6.5

#	Name	Isotope labeling	Concentration
7	GM_CBM21	[U-99% 13C; U-99% 15N]	0.8 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	DTT	natural abundance	10 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_19225_2m83.nef
Input source #2: Coordindates	2m83.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

-100-----110-------120-------130-------140-------150-------160-------170-------180-------190-------2
GHMQTEEYVLSPLFDLPASKEDLMQQLQVQKAMLESTEYVPGSTSMKGIIRVLNISFEKLVYVRMSLDDWQTHYDILAEYVPNSCDGETDQFSFKISLVP
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GHMQTEEYVLSPLFDLPASKEDLMQQLQVQKAMLESTEYVPGSTSMKGIIRVLNISFEKLVYVRMSLDDWQTHYDILAEYVPNSCDGETDQFSFKISLVP
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

00-------210-------220-------230-------
PYQKDGSKVEFCIRYETSVGTFWSNNNGTNYTLVCQKKE
|||||||||||||||||||||||||||||||||||||||
PYQKDGSKVEFCIRYETSVGTFWSNNNGTNYTLVCQKKE
-------110-------120-------130---------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	139	0	0	100.0

Content subtype: combined_19225_2m83.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1384		98.6 (chain: A, length: 139)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	3862 (1)	noe	97.8 (chain: A, length: 139)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 139, Sequence coverage: 98.6%
- Total number of assignments
  - ¹H chemical shifts: 818
  - ¹³C chemical shifts: 422
  - ¹⁵N chemical shifts: 144
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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	861	818	95.0
¹³C chemical shifts	646	422	65.3
¹⁵N chemical shifts	153	144	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	279	271	97.1
¹³C chemical shifts	278	137	49.3
¹⁵N chemical shifts	133	128	96.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	582	547	94.0
¹³C chemical shifts	368	285	77.4
¹⁵N chemical shifts	20	16	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	75	70	93.3
¹³C chemical shifts	75	70	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	78	57	73.1
¹³C chemical shifts	76	0	0.0
¹⁵N chemical shifts	2	2	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 139, Sequence coverage: 97.8%
- Total number of restraints: 3862
- Weight of restraints: 1.0 (3862)
- Potential type of restraints: square-well-parabolic (3862)
- Range of distance target values: 1.13, 3.75 (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

Keywords carbohydrate binding module, protein, starch binding domain

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Found 1 Document (0.797 seconds)

BMRB: 19225

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. GM CBM21, : 1 : 1 : 50 entities Detail

Interaction partners 1. GM CBM21, : 1 interactors Detail

Experiments performed 12 experiments Detail

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NMR combined restraints 3 contents Detail