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BMRB: 15821

2K52

Structure of uncharacterized protein MJ1198 from Methanocaldococcus jannaschii. Northeast Structural Genomics Target MjR117B

Authors

Rossi, P., Maglaqui, M., Foote, E.L., Hamilton, K., Ciccosanti, C., Xiao, R., Nair, R., Swapna, G., Everett, J.K., Acton, T.B., Rost, B., Montelione, G.T.

Assembly

MJ1198

Entity

1. MJ1198 (polymer, Thiol state: not present), 74 monomers, 8661.960 Da Detail

MDVEPGKFYK GVVTRIEKYG AFINLNEQVR GLLRPRDMIS LRLENLNVGD EIIVQAIDVR PEKREIDFKY IPLE

Formula weight

8661.96 Da

Source organism

Methanocaldococcus jannaschii

Exptl. method

solution NMR

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.0 %, Completeness (bb): 98.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.0 % (887 of 914)	96.5 % (466 of 483)	97.5 % (346 of 355)	98.7 % (75 of 76)
Backbone	98.6 % (430 of 436)	98.0 % (146 of 149)	99.1 % (215 of 217)	98.6 % (69 of 70)
Sidechain	96.2 % (526 of 547)	96.1 % (321 of 334)	96.1 % (199 of 207)	100.0 % (6 of 6)
Aromatic	92.6 % (50 of 54)	100.0 % (27 of 27)	85.2 % (23 of 27)
Methyl	98.9 % (93 of 94)	97.9 % (46 of 47)	100.0 % (47 of 47)

1. MjR117B

MDVEPGKFYK GVVTRIEKYG AFINLNEQVR GLLRPRDMIS LRLENLNVGD EIIVQAIDVR PEKREIDFKY IPLE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.008

#	Name	Isotope labeling	Concentration
11	MjR117B	[5% 13C; U-100% 15N]	1.226 mM
12	ammonium acetate	natural abundance	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.02 mM
15	DTT	natural abundance	10 mM
16	DSS	natural abundance	50 uM
17	calcium chloride	natural abundance	5 mM
18	protease inhibitor	natural abundance	1x mM
19	H2O	natural abundance	90 %
20	D2O	[U-100% 2H]	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.25 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.25 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.12 ppm, Outliers: 5 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.76 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K52, Strand ID: A Detail

Release date

2008-07-14

Citation

Structure of uncharacterized protein MJ1198 from Methanocaldococcus jannaschii. Northeast Structural Genomics Target MjR117B
Rossi, P., Xiao, R., Acton, T.B., Montelione, G.T.
Not known

Related entities 1. MJ1198, : 1 : 2 : 129 entities Detail

Experiments performed 20 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

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

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

3 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 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

4 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	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 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

6 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 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

7 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

8 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

9 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

10 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

11 3D HCCH-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

12 3D CCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

13 3D SIM 13C,15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

14 3D ARO 13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

15 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.008

#	Name	Isotope labeling	Concentration
11	MjR117B	[5% 13C; U-100% 15N]	1.226 mM
12	ammonium acetate	natural abundance	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.02 mM
15	DTT	natural abundance	10 mM
16	DSS	natural abundance	50 uM
17	calcium chloride	natural abundance	5 mM
18	protease inhibitor	natural abundance	1x mM
19	H2O	natural abundance	90 %
20	D2O	[U-100% 2H]	10 %

16 2D 1H-13C HSQC Stereo

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.008

#	Name	Isotope labeling	Concentration
11	MjR117B	[5% 13C; U-100% 15N]	1.226 mM
12	ammonium acetate	natural abundance	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.02 mM
15	DTT	natural abundance	10 mM
16	DSS	natural abundance	50 uM
17	calcium chloride	natural abundance	5 mM
18	protease inhibitor	natural abundance	1x mM
19	H2O	natural abundance	90 %
20	D2O	[U-100% 2H]	10 %

17 2D HETNOE

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.008

#	Name	Isotope labeling	Concentration
11	MjR117B	[5% 13C; U-100% 15N]	1.226 mM
12	ammonium acetate	natural abundance	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.02 mM
15	DTT	natural abundance	10 mM
16	DSS	natural abundance	50 uM
17	calcium chloride	natural abundance	5 mM
18	protease inhibitor	natural abundance	1x mM
19	H2O	natural abundance	90 %
20	D2O	[U-100% 2H]	10 %

18 pseudo 2D N15 T1

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.008

#	Name	Isotope labeling	Concentration
11	MjR117B	[5% 13C; U-100% 15N]	1.226 mM
12	ammonium acetate	natural abundance	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.02 mM
15	DTT	natural abundance	10 mM
16	DSS	natural abundance	50 uM
17	calcium chloride	natural abundance	5 mM
18	protease inhibitor	natural abundance	1x mM
19	H2O	natural abundance	90 %
20	D2O	[U-100% 2H]	10 %

19 pseudo 2D N15 T2 (CPMG)

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.008

#	Name	Isotope labeling	Concentration
11	MjR117B	[5% 13C; U-100% 15N]	1.226 mM
12	ammonium acetate	natural abundance	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.02 mM
15	DTT	natural abundance	10 mM
16	DSS	natural abundance	50 uM
17	calcium chloride	natural abundance	5 mM
18	protease inhibitor	natural abundance	1x mM
19	H2O	natural abundance	90 %
20	D2O	[U-100% 2H]	10 %

20 2D 1H-13C HSQC CT ARO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details PST ID: MjR117B.006

#	Name	Isotope labeling	Concentration
1	MjR117B	[U-100% 13C; U-100% 15N]	1.682 mM
2	ammonium acetate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	0.02 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	calcium chloride	natural abundance	5 mM
8	protease inhibitor	natural abundance	1x mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15821_2k52.nef
Input source #2: Coordindates	2k52.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--------80
MDVEPGKFYKGVVTRIEKYGAFINLNEQVRGLLRPRDMISLRLENLNVGDEIIVQAIDVRPEKREIDFKYIPLEHHHHHH
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MDVEPGKFYKGVVTRIEKYGAFINLNEQVRGLLRPRDMISLRLENLNVGDEIIVQAIDVRPEKREIDFKYIPLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	80	0	0	100.0

Content subtype: combined_15821_2k52.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	889		92.5 (chain: A, length: 80)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1212 (1)	noe	92.5 (chain: A, length: 80)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	166 (166)	.	85.0 (chain: A, length: 80)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 80, Sequence coverage: 92.5%
- Total number of assignments
  - ¹H chemical shifts: 468
  - ¹³C chemical shifts: 346
  - ¹⁵N chemical shifts: 75
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	519	468	90.2
¹³C chemical shifts	385	346	89.9
¹⁵N chemical shifts	89	75	84.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	161	148	91.9
¹³C chemical shifts	160	147	91.9
¹⁵N chemical shifts	76	69	90.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	358	320	89.4
¹³C chemical shifts	225	199	88.4
¹⁵N chemical shifts	13	6	46.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	49	49	100.0
¹³C chemical shifts	49	49	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	39	27	69.2
¹³C chemical shifts	39	23	59.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 80, Sequence coverage: 92.5%
- Total number of restraints: 1210
- Weight of restraints: 1.0 (1210)
- Potential type of restraints: square-well-parabolic (1210)
- Range of distance target values: 2.44, 4.07 (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: 80, Sequence coverage: 85.0%
- Total number of restraints: 166
- Total number of restraints per polymer type: 166
- Weight of restraints: 1.0 (166)
- Potential type of restraints: square-well-parabolic (166)
- Plot of Phi-Psi angle restraints
- Plot of Chi1-Chi2 angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

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Found 1 Document (0.775 seconds)

BMRB: 15821

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. MJ1198, : 1 : 2 : 129 entities Detail

Experiments performed 20 experiments Detail

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Instrument

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Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 4 contents Detail