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BMRB: 18215

2LOK

Solution NMR Structure of the uncharacterized protein from gene locus VNG_0733H of Halobacterium salinarium, Northeast Structural Genomics Consortium Target HsR50.

Authors

Rossi, P., Lange, O.F., Lee, H., Hamilton, K., Ciccosanti, C., Buchwald, W.A., Wang, H., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T.

Assembly

HsR50

Entity

1. HsR50 (polymer, Thiol state: all free), 191 monomers, 20732.33 Da Detail

MSPIPLPVTD TDDAWRARIA AHRADKDEFL ATHDQSPIPP ADRGAFDGLR YFDIDASFRV AARYQPARDP EAVELETTRG PPAEYTRAAV LGFDLGDSHH TLTAFRVEGE SSLFVPFTDE TTDDGRTYEH GRYLDVDPAG ADGGDEVALD FNLAYNPFCA YGGSFSCALP PADNHVPAAI TAGERVDADL E

Formula weight

20732.33 Da

Source organism

Halobacterium salinarum

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.4 %, Completeness: 83.7 %, Completeness (bb): 94.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.7 % (1722 of 2058)	79.8 % (840 of 1052)	86.1 % (710 of 825)	95.0 % (172 of 181)
Backbone	94.6 % (1054 of 1114)	93.9 % (357 of 380)	94.6 % (529 of 559)	96.0 % (168 of 175)
Sidechain	74.2 % (832 of 1121)	71.0 % (477 of 672)	79.2 % (351 of 443)	66.7 % (4 of 6)
Aromatic	63.4 % (128 of 202)	68.3 % (69 of 101)	58.0 % (58 of 100)	100.0 % (1 of 1)
Methyl	100.0 % (194 of 194)	100.0 % (97 of 97)	100.0 % (97 of 97)

1. HsR50

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
10	hsr50.009	[U-100% 13C; U-100% 15N; U-2H]	0.800 mM
11	Proteinase Inhibitors	natural abundance	1 na
12	NaN3	natural abundance	0.02 %
13	DTT	natural abundance	10 mM
14	CaCL2	natural abundance	5 mM
15	NaCL	natural abundance	200 mM
16	MES pH 6.5	natural abundance	20 mM
17	D2O	natural abundance	10 %
18	DSS	natural abundance	50 uM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
19	hsr50.007	[U-100% 13C; U-100% 15N]	0.674 mM
20	Proteinase Inhibitors	natural abundance	1 na
21	NaN3	natural abundance	0.02 %
22	DTT	natural abundance	10 mM
23	CaCL2	natural abundance	5 mM
24	NaCL	natural abundance	200 mM
25	MES pH 6.5	natural abundance	20 mM
26	D2O	natural abundance	10 %
27	DSS	natural abundance	50 uM

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: -0.01 ppm, Outliers: 1 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: -0.01 ppm, Outliers: 1 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: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

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: 1 Detail

Protein Blocks Logo

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

Release date

2012-02-02

Related entities 1. HsR50, : 1 : 2 : 1 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

3 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

5 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

6 3D 1H-13C arom NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

7 cCH_NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
10	hsr50.009	[U-100% 13C; U-100% 15N; U-2H]	0.800 mM
11	Proteinase Inhibitors	natural abundance	1 na
12	NaN3	natural abundance	0.02 %
13	DTT	natural abundance	10 mM
14	CaCL2	natural abundance	5 mM
15	NaCL	natural abundance	200 mM
16	MES pH 6.5	natural abundance	20 mM
17	D2O	natural abundance	10 %
18	DSS	natural abundance	50 uM

8 nNH_NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
10	hsr50.009	[U-100% 13C; U-100% 15N; U-2H]	0.800 mM
11	Proteinase Inhibitors	natural abundance	1 na
12	NaN3	natural abundance	0.02 %
13	DTT	natural abundance	10 mM
14	CaCL2	natural abundance	5 mM
15	NaCL	natural abundance	200 mM
16	MES pH 6.5	natural abundance	20 mM
17	D2O	natural abundance	10 %
18	DSS	natural abundance	50 uM

9 3D HNHA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

10 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

11 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

12 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
10	hsr50.009	[U-100% 13C; U-100% 15N; U-2H]	0.800 mM
11	Proteinase Inhibitors	natural abundance	1 na
12	NaN3	natural abundance	0.02 %
13	DTT	natural abundance	10 mM
14	CaCL2	natural abundance	5 mM
15	NaCL	natural abundance	200 mM
16	MES pH 6.5	natural abundance	20 mM
17	D2O	natural abundance	10 %
18	DSS	natural abundance	50 uM

13 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

14 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

15 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

16 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
10	hsr50.009	[U-100% 13C; U-100% 15N; U-2H]	0.800 mM
11	Proteinase Inhibitors	natural abundance	1 na
12	NaN3	natural abundance	0.02 %
13	DTT	natural abundance	10 mM
14	CaCL2	natural abundance	5 mM
15	NaCL	natural abundance	200 mM
16	MES pH 6.5	natural abundance	20 mM
17	D2O	natural abundance	10 %
18	DSS	natural abundance	50 uM

17 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
19	hsr50.007	[U-100% 13C; U-100% 15N]	0.674 mM
20	Proteinase Inhibitors	natural abundance	1 na
21	NaN3	natural abundance	0.02 %
22	DTT	natural abundance	10 mM
23	CaCL2	natural abundance	5 mM
24	NaCL	natural abundance	200 mM
25	MES pH 6.5	natural abundance	20 mM
26	D2O	natural abundance	10 %
27	DSS	natural abundance	50 uM

18 3D HA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.726 mM hsr50.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	hsr50.005	[U-100% 13C; U-100% 15N]	0.726 mM
2	Proteinase Inhibitors	natural abundance	1 na
3	NaN3	natural abundance	0.02 %
4	DTT	natural abundance	10 mM
5	CaCL2	natural abundance	5 mM
6	NaCL	natural abundance	200 mM
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM

NMR combined restraints 7 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_18215_2lok.nef
Input source #2: Coordindates	2lok.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--------90-------100
MSPIPLPVTDTDDAWRARIAAHRADKDEFLATHDQSPIPPADRGAFDGLRYFDIDASFRVAARYQPARDPEAVELETTRGPPAEYTRAAVLGFDLGDSHH
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSPIPLPVTDTDDAWRARIAAHRADKDEFLATHDQSPIPPADRGAFDGLRYFDIDASFRVAARYQPARDPEAVELETTRGPPAEYTRAAVLGFDLGDSHH

-------110-------120-------130-------140-------150-------160-------170-------180-------190-------
TLTAFRVEGESSLFVPFTDETTDDGRTYEHGRYLDVDPAGADGGDEVALDFNLAYNPFCAYGGSFSCALPPADNHVPAAITAGERVDADLEHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
TLTAFRVEGESSLFVPFTDETTDDGRTYEHGRYLDVDPAGADGGDEVALDFNLAYNPFCAYGGSFSCALPPADNHVPAAITAGERVDADLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	197	0	0	100.0

Content subtype: combined_18215_2lok.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1702		93.9 (chain: A, length: 197)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	4220 (1)	noe	91.9 (chain: A, length: 197)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	106 (1)	hbond	30.5 (chain: A, length: 197)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	307 (307)	.	93.4 (chain: A, length: 197)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_5	OK	105 (105)	.	53.3 (chain: A, length: 197)
2	RDC restraints	CNS/XPLOR_dipolar_coupling_6	OK	122 (122)	.	61.9 (chain: A, length: 197)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 197, Sequence coverage: 93.9%
- Total number of assignments
  - ¹³C chemical shifts: 704
  - ¹H chemical shifts: 829
  - ¹⁵N chemical shifts: 169
- 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 (%)
¹³C chemical shifts	855	704	82.3
¹H chemical shifts	1088	829	76.2
¹⁵N chemical shifts	201	169	84.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	394	356	90.4
¹H chemical shifts	392	358	91.3
¹⁵N chemical shifts	181	166	91.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	461	348	75.5
¹H chemical shifts	696	471	67.7
¹⁵N chemical shifts	20	3	15.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	98	97	99.0
¹H chemical shifts	98	97	99.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	112	58	51.8
¹H chemical shifts	113	69	61.1
¹⁵N chemical shifts	1	1	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: 197, Sequence coverage: 91.9%
- Total number of restraints: 4220
- Weight of restraints: 1.0 (4220)
- Potential type of restraints: square-well-parabolic (4220)
- Range of distance target values: 2.21, 4.43 (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
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 197, Sequence coverage: 30.5%
  - Total number of restraints: 106
  - Weight of restraints: 1.0 (106)
  - Potential type of restraints: square-well-parabolic (106)
  - Range of distance target values: 1.9, 2.85 (Å)
  - Histogram of 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: 197, Sequence coverage: 93.4%
- Total number of restraints: 307
- Total number of restraints per polymer type: 307
- Weight of restraints: 1.0 (307)
- Potential type of restraints: square-well-parabolic (307)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_5

Status: OK
Experiment type: .

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 197, Sequence coverage: 53.3%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MSPIPLPVTDTDDAWRARIAAHRADKDEFLATHDQSPIPPADRGAFDGLRYFDIDASFRVAARYQPARDPEAVELETTRGPPAEYTRAAVLGFDLGDSHH
       ||||| || ||| |  ||  | | ||| |     ||||||     | | ||| ||||| ||| || ||||        |  | |||  |||| 
.......VTDTD.AW.ARI.A..AD..E.L.THD.S.....DRGAFD.....D.D.SFR.AARYQ.ARD.EA.ELET........T..A.LGF..GDSH.
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

-------110-------120-------130-------140-------150-------160-------170-------180-------190-------
TLTAFRVEGESSLFVPFTDETTDDGRTYEHGRYLDVDPAGADGGDEVALDFNLAYNPFCAYGGSFSCALPPADNHVPAAITAGERVDADLEHHHHHH
| ||| ||| || ||  |||| ||| |   || | || ||| ||| |||||  |       |         ||||| |||||  ||||  |      
T.TAF.VEG.SS.FV..TDET.DDG.T...GR.L.VD.AGA.GGD.VALDF..A.......G.........ADNHV.AAITA..RVDA..E      
-------110-------120-------130-------140-------150-------160-------170-------180-------190-

Total number of restraints: 105
Potential type of restraints: undefined (105)
Range of observed RDC values: 100.0, -100.0 (Hz)
RDC restraints per residue
- Chain_ID: A
  None

Saveframe: CNS/XPLOR_dipolar_coupling_6

Status: OK
Experiment type: .

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 197, Sequence coverage: 61.9%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MSPIPLPVTDTDDAWRARIAAHRADKDEFLATHDQSPIPPADRGAFDGLRYFDIDASFRVAARYQPARDPEAVELETTRGPPAEYTRAAVLGFDLGDSHH
       ||||| ||  || | |||  | |  || | |  || ||||   | | | ||||||||| ||| || |||||||  | |||||||||  |||||
.......VTDTD.AW..RI.A.RAD..E.L..HD.S.I..AD.GAFD...Y.D.D.SFRVAARYQ.ARD.EA.ELETTRG..A.YTRAAVLGF..GDSHH
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

-------110-------120-------130-------140-------150-------160-------170-------180-------190-------
TLTAFRVEGESSLFVPFTDETTDDGRTYEHGRYLDVDPAGADGGDEVALDFNLAYNPFCAYGGSFSCALPPADNHVPAAITAGERVDADLEHHHHHH
| ||| ||| || ||  |||| ||| |   || |||| ||| |||||||||  |    ||||||| | |  ||||    | |  ||||  |      
T.TAF.VEG.SS.FV..TDET.DDG.T...GR.LDVD.AGA.GGDEVALDF..A....CAYGGSF.C.L..ADNH....I.A..RVDA..E      
-------110-------120-------130-------140-------150-------160-------170-------180-------190-

Total number of restraints: 122
Potential type of restraints: undefined (122)
Range of observed RDC values: 100.0, -100.0 (Hz)
RDC restraints per residue
- Chain_ID: A
  None

Keywords NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), Protein NMR, Protein Structure Initiative, PSI:Biology, Structural Genomics, Target HsR50

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Related entities 1. HsR50, : 1 : 2 : 1 entities Detail

Experiments performed 18 experiments Detail

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NMR combined restraints 7 contents Detail