BMRBj - BMREntryMaster

Found 1 Document (0.843 seconds)

BMRB: 25514

2N04

Solution Structure of the phosphorylated J-domain of Human Cysteine String Protein (CSP)

Authors

Patel, P., Lian, L., Morgan, A., Burgoyne, R.

Assembly

phosphorylated J-domain of Human Cysteine String Protein (CSP)

Entity

1. phosphorylated J-domain of Human Cysteine String Protein (CSP) (polymer), 105 monomers, 11966.05 Da Detail

MRSPGMADQR QRSLXTSGES LYHVLGLDKN ATSDDIKKSY RKLALKYHPD KNPDNPEAAD KFKEINNAHA ILTDATKRNI YDKYGSLGLY VAEQFGEENV NTYFV

Formula weight

11966.05 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.2 %, Completeness: 87.4 %, Completeness (bb): 94.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.4 % (1062 of 1215)	87.4 % (556 of 636)	85.5 % (400 of 468)	95.5 % (106 of 111)
Backbone	94.2 % (580 of 616)	94.3 % (198 of 210)	93.8 % (287 of 306)	95.0 % (95 of 100)
Sidechain	81.9 % (571 of 697)	83.1 % (354 of 426)	79.2 % (206 of 260)	100.0 % (11 of 11)
Aromatic	20.4 % (20 of 98)	20.4 % (10 of 49)	20.4 % (10 of 49)
Methyl	100.0 % (96 of 96)	100.0 % (48 of 48)	100.0 % (48 of 48)

1. Phosphorylated DnaJ domain of cysteine-string protein

MRSPGMADQR QRSLXTSGES LYHVLGLDKN ATSDDIKKSY RKLALKYHPD KNPDNPEAAD KFKEINNAHA ILTDATKRNI YDKYGSLGLY VAEQFGEENV NTYFV

Show sample condition

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.12 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: -0.08 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N04, Strand ID: A Detail

Release date

2016-07-10

Citation

Phosphorylation of Cysteine String Protein Triggers a Major Conformational Switch
Patel, P., Prescott, G.R., Burgoyne, R.D., Lian, L., Morgan, A.
Structure (2016), 24, 1380-1386, PubMed 27452402 , DOI 10.1016/j.str.2016.06.009 , Abstract

Related entities 1. phosphorylated J-domain of Human Cysteine String Protein (CSP), : 1 : 8 : 32 entities Detail

Interaction partners 1. phosphorylated J-domain of Human Cysteine String Protein (CSP), : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

3 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 600 MHz

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

4 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

5 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

6 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

7 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

8 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

9 3D HCACO

Instrument

Bruker Avance - 600 MHz

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

10 3D HBHANH

Instrument

Bruker Avance - 600 MHz

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

11 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

12 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

13 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	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

14 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	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

15 3D 1H-13C NOESY aromatic

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	Type	Concentration
1	Phosphorylated DnaJ domain of cysteine-string protein	[U-13C; U-15N]		0.5 mM
2	MES	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	DTT	natural abundance		1 mM
5	MgCl2	natural abundance		10 mM
6	EDTA	natural abundance		0.5 mM
7	PKA	natural abundance		0.73 nM
8	ATP	natural abundance		1 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25514_2n04.nef
Input source #2: Coordindates	2n04.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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:14:LEU:C	1:15:SEP:N	unknown	unknown	n/a
1:15:SEP:C	1:16:THR:N	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
A	10	SEP	PHOSPHOSERINE	Coordinates

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

-------------10--------20--------30--------40--------50--------60--------70--------80--------90-----
MRSPGMADQRQRSLXTSGESLYHVLGLDKNATSDDIKKSYRKLALKYHPDKNPDNPEAADKFKEINNAHAILTDATKRNIYDKYGSLGLYVAEQFGEENV
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MRSPGMADQRQRSLXTSGESLYHVLGLDKNATSDDIKKSYRKLALKYHPDKNPDNPEAADKFKEINNAHAILTDATKRNIYDKYGSLGLYVAEQFGEENV
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

--100
NTYFV
|||||
NTYFV
-----

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	105	0	0	100.0

Content subtype: combined_25514_2n04.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	2		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1059		94.3 (chain: A, length: 105)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	4187 (1)	noe	94.3 (chain: A, length: 105)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	177 (177)	.	95.2 (chain: A, length: 105)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 105, Sequence coverage: 94.3%
- Total number of assignments
  - ¹H chemical shifts: 553
  - ¹³C chemical shifts: 400
  - ¹⁵N chemical shifts: 106
- 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

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 105, Sequence coverage: 94.3%
- Total number of restraints: 4187
- Weight of restraints: 1.0 (4187)
- Potential type of restraints: square-well-parabolic (4187)
- Range of distance target values: 1.52, 4.65 (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: 105, Sequence coverage: 95.2%
- Total number of restraints: 177
- Total number of restraints per polymer type: 177
- Weight of restraints: 1.0 (177)
- Potential type of restraints: square-well-parabolic (177)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords DnaJ, phosphorylation, protein