BMRBj - BMREntryMaster

Found 1 Document (0.651 seconds)

BMRB: 15604

2JZ2

Solution NMR structure of Ssl0352 protein from Synechocystis sp. - Northeast Structural Genomics Consortium target SgR42

Authors

Eletsky, A., Sukumaran, D., Wang, D., Hamilton, K., Foote, E.L., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Szyperski, T.

Assembly

SgR42 protein

Entity

1. SgR42 protein (polymer, Thiol state: not present), 66 monomers, 7642.536 Da Detail

MIFPGATVRV TNVDDTYYRF EGLVQRVSDG KAAVLFENGN WDKLVTFRLS ELEAVKPILE HHHHHH

Formula weight

7642.536 Da

Source organism

Synechocystis sp.

Exptl. method

Refine. method

simulated annealing, simulated annealing in explicit water bath

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 93.9 %, Completeness: 88.0 %, Completeness (bb): 90.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.0 % (688 of 782)	89.3 % (358 of 401)	85.3 % (266 of 312)	92.8 % (64 of 69)
Backbone	90.6 % (355 of 392)	90.3 % (121 of 134)	90.2 % (175 of 194)	92.2 % (59 of 64)
Sidechain	86.3 % (390 of 452)	88.8 % (237 of 267)	82.2 % (148 of 180)	100.0 % (5 of 5)
Aromatic	60.9 % (56 of 92)	73.9 % (34 of 46)	46.7 % (21 of 45)	100.0 % (1 of 1)
Methyl	95.0 % (76 of 80)	95.0 % (38 of 40)	95.0 % (38 of 40)

1. SgR42 protein

MIFPGATVRV TNVDDTYYRF EGLVQRVSDG KAAVLFENGN WDKLVTFRLS ELEAVKPILE HHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
7	SgR42 protein	[U-5% 13C; U-100% 15N]		1.17 mM
8	calcium chloride	natural abundance		5 mM
9	sodium chloride	natural abundance		100 mM
10	ammonium acetate	natural abundance		20 mM
11	DTT	natural abundance		10 mM
12	sodium azide	natural abundance		0.03 %

LACS Plot; CA

Referencing offset: 0.16 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.16 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.65 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2JZ2, Strand ID: A Detail

Release date

2008-03-06

Citation

Solution NMR structure of Ssl0352 protein from Synechocystis sp
Eletsky, A., Sukumaran, D., Wang, D., Hamilton, K., Foote, E.L., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Rost, B., Acton, T.B., Montelione, G.T., Szyperski, T.
Proteins: Struct. Funct. Genet.

Related entities 1. SgR42 protein, : 1 : 1 : 13 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

2 2D 1H-13C HSQC aliphatic

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

3 2D 1H-13C HSQC aromatic

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

4 2D 1H-13C CT-HSQC aliphatic

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

5 2D 1H-13C CT-HSQC aromatic

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

6 3D HNCO

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

7 (4,3)D GFT CABCA(CO)NHN

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

8 (4,3)D GFT HNNCABCA

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

9 (4,3)D GFT HABCAB(CO)NHN

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

10 (4,3)D GFT HCCH-COSY aliphatic

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

11 3D HCCH-TOCSY aliphatic

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

12 (4,3)D GFT HCCH-COSY aromatic

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

13 3D 1H-15N,13C NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
1	SgR42 protein	[U-100% 13C; U-100% 15N]		1.17 mM
2	calcium chloride	natural abundance		5 mM
3	sodium chloride	natural abundance		100 mM
4	ammonium acetate	natural abundance		20 mM
5	DTT	natural abundance		10 mM
6	sodium azide	natural abundance		0.03 %

14 2D 1H-13C CT-HSQC 28ms methyl

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
7	SgR42 protein	[U-5% 13C; U-100% 15N]		1.17 mM
8	calcium chloride	natural abundance		5 mM
9	sodium chloride	natural abundance		100 mM
10	ammonium acetate	natural abundance		20 mM
11	DTT	natural abundance		10 mM
12	sodium azide	natural abundance		0.03 %

15 2D 1H-13C CT-HSQC 56ms methyl

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Type	Concentration
7	SgR42 protein	[U-5% 13C; U-100% 15N]		1.17 mM
8	calcium chloride	natural abundance		5 mM
9	sodium chloride	natural abundance		100 mM
10	ammonium acetate	natural abundance		20 mM
11	DTT	natural abundance		10 mM
12	sodium azide	natural abundance		0.03 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_15604_2jz2.nef
Input source #2: Coordindates	2jz2.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------
MIFPGATVRVTNVDDTYYRFEGLVQRVSDGKAAVLFENGNWDKLVTFRLSELEAVKPILEHHHHHH
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MIFPGATVRVTNVDDTYYRFEGLVQRVSDGKAAVLFENGNWDKLVTFRLSELEAVKPILEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	66	0	0	100.0

Content subtype: combined_15604_2jz2.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	698		92.4 (chain: A, length: 66)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	389 (1)	noe	89.4 (chain: A, length: 66)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 66, Sequence coverage: 92.4%
- Total number of assignments
  - ¹H chemical shifts: 364
  - ¹³C chemical shifts: 268
  - ¹⁵N chemical shifts: 66
- 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: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 66, Sequence coverage: 89.4%
- Total number of restraints: 389
- Weight of restraints: 1.0 (389)
- Potential type of restraints: upper-bound-parabolic (389)
- Range of distance target values: 2.46, 7.54 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords SH3-like