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BMRB: 15317

2JR2

NMR Solution Structure of Colwellia psychrerythraea protein CPS_2611. Northeast Structural Genomics target CsR4.

Authors

Ramelot, T.A., Cort, J.R., Wang, H., Nwosu, C., Cunningham, K., Owens, L., Ma, L., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Kennedy, M.A.

Assembly

CPS 2611

Entity

1. CPS 2611 (polymer, Thiol state: all free), 76 monomers, 8590.857 × 2 Da Detail

MPIVSKYSNE RVEKIIQDLL DVLVKEEVTP DLALMCLGNA VTNIIAQVPE SKRVAVVDNF TKALKQSVLE HHHHHH

Total weight

17181.715 Da

Max. entity weight

8590.857 Da

Source organism

Colwellia psychrerythraea

Exptl. method

solution NMR

Refine. method

simulated annealing, CNS water refinement

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 97.4 %, Completeness: 92.7 %, Completeness (bb): 95.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.7 % (830 of 895)	92.0 % (425 of 462)	92.6 % (327 of 353)	97.5 % (78 of 80)
Backbone	95.1 % (428 of 450)	94.7 % (142 of 150)	94.7 % (215 of 227)	97.3 % (71 of 73)
Sidechain	91.2 % (474 of 520)	90.7 % (283 of 312)	91.5 % (184 of 201)	100.0 % (7 of 7)
Aromatic	42.9 % (18 of 42)	42.9 % (9 of 21)	42.9 % (9 of 21)
Methyl	100.0 % (112 of 112)	100.0 % (56 of 56)	100.0 % (56 of 56)

1. protein

MPIVSKYSNE RVEKIIQDLL DVLVKEEVTP DLALMCLGNA VTNIIAQVPE SKRVAVVDNF TKALKQSVLE HHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
7	protein	[U-5% 13C; U-100% 15N]	1.1 (±0.1) mM
8	sodium chloride	natural abundance	100 (±5.0) mM
9	calcium chloride	natural abundance	5 (±0.25) mM
10	ammonium acetate	natural abundance	20 (±1.0) mM
11	DTT	natural abundance	5 (±0.25) mM
12	sodium azide	natural abundance	0.02 (±0.001) %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
13	protein	[U-13C; U-15N]	1.0 (±0.1) mM
14	sodium chloride	natural abundance	100 (±5.0) mM
15	calcium chloride	natural abundance	5 (±0.25) mM
16	ammonium acetate	natural abundance	20 (±1.0) mM
17	DTT	natural abundance	5 (±0.25) mM
18	sodium azide	natural abundance	0.02 (±0.001) %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2), Details 50% NC labeled and 50% unlabeled protein mixed together to form mixed homodimer.

#	Name	Isotope labeling	Concentration
19	protein	[U-13C; U-15N]	0.5 (±0.05) mM
20	sodium chloride	natural abundance	100 (±5.0) mM
21	calcium chloride	natural abundance	5 (±0.25) mM
22	ammonium acetate	natural abundance	20 (±1.0) mM
23	DTT	natural abundance	5 (±0.25) mM
24	sodium azide	natural abundance	0.02 (±0.001) %
25	protein	natural abundance	0.5 (±0.05) mM

Protein Blocks Logo

Calculated from 20 models in PDB: 2JR2, Strand ID: A, B Detail

Release date

2007-08-14

Citation

Solution NMR structure of Colwellia psychrerythraea protein CPS_2611. Northeast Structural Genomics target CsR4
Ramelot, T.A., Cort, J.R., Montelione, G.A., Kennedy, M.A.
Not known

Related entities 1. CPS 2611, : 1 : 2 : 63 entities Detail

Experiments performed 25 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

2 2D 1H-13C HSQC (aliph)

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

3 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

4 3D 1H-13C NOESY aliph

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

5 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

6 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
7	protein	[U-5% 13C; U-100% 15N]	1.1 (±0.1) mM
8	sodium chloride	natural abundance	100 (±5.0) mM
9	calcium chloride	natural abundance	5 (±0.25) mM
10	ammonium acetate	natural abundance	20 (±1.0) mM
11	DTT	natural abundance	5 (±0.25) mM
12	sodium azide	natural abundance	0.02 (±0.001) %

7 4D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
13	protein	[U-13C; U-15N]	1.0 (±0.1) mM
14	sodium chloride	natural abundance	100 (±5.0) mM
15	calcium chloride	natural abundance	5 (±0.25) mM
16	ammonium acetate	natural abundance	20 (±1.0) mM
17	DTT	natural abundance	5 (±0.25) mM
18	sodium azide	natural abundance	0.02 (±0.001) %

8 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

9 3D HNHA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

10 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

11 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

12 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

13 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

14 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

15 3D HCCH-COSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

16 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

17 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
13	protein	[U-13C; U-15N]	1.0 (±0.1) mM
14	sodium chloride	natural abundance	100 (±5.0) mM
15	calcium chloride	natural abundance	5 (±0.25) mM
16	ammonium acetate	natural abundance	20 (±1.0) mM
17	DTT	natural abundance	5 (±0.25) mM
18	sodium azide	natural abundance	0.02 (±0.001) %

18 2D 1H-15N HSQC (15 min)

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
13	protein	[U-13C; U-15N]	1.0 (±0.1) mM
14	sodium chloride	natural abundance	100 (±5.0) mM
15	calcium chloride	natural abundance	5 (±0.25) mM
16	ammonium acetate	natural abundance	20 (±1.0) mM
17	DTT	natural abundance	5 (±0.25) mM
18	sodium azide	natural abundance	0.02 (±0.001) %

19 3D edited filtered 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2), Details 50% NC labeled and 50% unlabeled protein mixed together to form mixed homodimer.

#	Name	Isotope labeling	Concentration
19	protein	[U-13C; U-15N]	0.5 (±0.05) mM
20	sodium chloride	natural abundance	100 (±5.0) mM
21	calcium chloride	natural abundance	5 (±0.25) mM
22	ammonium acetate	natural abundance	20 (±1.0) mM
23	DTT	natural abundance	5 (±0.25) mM
24	sodium azide	natural abundance	0.02 (±0.001) %
25	protein	natural abundance	0.5 (±0.05) mM

20 3D 1H-13C NOESY arom

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

21 2D 1H-13C HSQC (arom ct)

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

22 2D 1H-13C HSQC (arom no ct)

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	protein	[U-13C; U-15N]	1 (±0.1) mM
2	sodium chloride	natural abundance	100 (±5.0) mM
3	ammonium acetate	natural abundance	20 (±1.0) mM
4	DTT	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) %
6	calcium chloride	natural abundance	5 (±0.25) mM

23 2D 1H-15N HSQC (30 min)

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
13	protein	[U-13C; U-15N]	1.0 (±0.1) mM
14	sodium chloride	natural abundance	100 (±5.0) mM
15	calcium chloride	natural abundance	5 (±0.25) mM
16	ammonium acetate	natural abundance	20 (±1.0) mM
17	DTT	natural abundance	5 (±0.25) mM
18	sodium azide	natural abundance	0.02 (±0.001) %

24 2D 1H-15N HSQC (1 hr)

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
13	protein	[U-13C; U-15N]	1.0 (±0.1) mM
14	sodium chloride	natural abundance	100 (±5.0) mM
15	calcium chloride	natural abundance	5 (±0.25) mM
16	ammonium acetate	natural abundance	20 (±1.0) mM
17	DTT	natural abundance	5 (±0.25) mM
18	sodium azide	natural abundance	0.02 (±0.001) %

25 2D 1H-15N HSQC (6 days)

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Concentration
13	protein	[U-13C; U-15N]	1.0 (±0.1) mM
14	sodium chloride	natural abundance	100 (±5.0) mM
15	calcium chloride	natural abundance	5 (±0.25) mM
16	ammonium acetate	natural abundance	20 (±1.0) mM
17	DTT	natural abundance	5 (±0.25) mM
18	sodium azide	natural abundance	0.02 (±0.001) %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15317_2jr2.nef
Input source #2: Coordindates	2jr2.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------
MPIVSKYSNERVEKIIQDLLDVLVKEEVTPDLALMCLGNAVTNIIAQVPESKRVAVVDNFTKALKQSVLEHHHHHH
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MPIVSKYSNERVEKIIQDLLDVLVKEEVTPDLALMCLGNAVTNIIAQVPESKRVAVVDNFTKALKQSVLEHHHHHH

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

--------10--------20--------30--------40--------50--------60--------70------
MPIVSKYSNERVEKIIQDLLDVLVKEEVTPDLALMCLGNAVTNIIAQVPESKRVAVVDNFTKALKQSVLEHHHHHH
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MPIVSKYSNERVEKIIQDLLDVLVKEEVTPDLALMCLGNAVTNIIAQVPESKRVAVVDNFTKALKQSVLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	76	0	0	100.0
B	B	76	0	0	100.0

Content subtype: combined_15317_2jr2.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	858		97.4 (chain: A, length: 76)
1	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	1766 (1)	noe	86.8 (chain: A, length: 76), 86.8 (chain: B, length: 76)
2	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	126 (1)	hbond	56.6 (chain: A, length: 76), 56.6 (chain: B, length: 76)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	212 (212)	.	78.9 (chain: A, length: 76), 78.9 (chain: B, length: 76)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 76, Sequence coverage: 97.4%
- Total number of assignments
  - ¹H chemical shifts: 442
  - ¹³C chemical shifts: 336
  - ¹⁵N chemical shifts: 80
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
9	ASN	CG	176.3
39	ASN	CG	175.8
43	ASN	CG	175.5
47	GLN	CD	180.3
53	ARG	HH21	6.5
53	ARG	HH22	7.22
59	ASN	CG	176.0
61	THR	HG1	5.11
66	GLN	CD	180.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	462	439	95.0
¹³C chemical shifts	353	330	93.5
¹⁵N chemical shifts	82	80	97.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	150	146	97.3
¹³C chemical shifts	152	145	95.4
¹⁵N chemical shifts	73	71	97.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	312	293	93.9
¹³C chemical shifts	201	185	92.0
¹⁵N chemical shifts	9	9	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	58	57	98.3
¹³C chemical shifts	58	57	98.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	9	42.9
¹³C chemical shifts	21	9	42.9

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_4
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 76, Sequence coverage: 86.8%
  - Entity_assembly_ID: B, Chain length: 76, Sequence coverage: 86.8%
- Total number of restraints: 1761
- Weight of restraints: 1.0 (1761)
- Potential type of restraints: square-well-parabolic (1761)
- Range of distance target values: 2.35, 3.4 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_2
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 76, Sequence coverage: 56.6%
    - Entity_assembly_ID: B, Chain length: 76, Sequence coverage: 56.6%
  - Total number of restraints: 126
  - Weight of restraints: 1.0 (126)
  - Potential type of restraints: square-well-parabolic (126)
  - Range of distance target values: 2.0, 3.15 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
  - 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: 76, Sequence coverage: 78.9%
  - Entity_assembly_ID: B, Chain length: 76, Sequence coverage: 78.9%
- Total number of restraints: 212
- Total number of restraints per polymer type: 212
- Weight of restraints: 1.0 (212)
- Potential type of restraints: square-well-parabolic (212)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
  - Chain_ID: B

Keywords dimer, helix, all alpha, homodimer

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Found 1 Document (0.763 seconds)

BMRB: 15317

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Related entities 1. CPS 2611, : 1 : 2 : 63 entities Detail

Experiments performed 25 experiments Detail

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