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BMRB: 16991

2KYY

Solution NMR Structure of the N-terminal Domain of Putative ATP-dependent DNA Helicase RecG-related Protein from Nitrosomonas europaea, Northeast Structural Genomics Consortium Target NeR70A

Authors

Eletsky, A., Mills, J.L., Lee, H., Maglaqui, M., Ciccosanti, C., Hamilton, K., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Prestegard, J.H., Szyperski, T.

Assembly

NeR70A

Entity

1. NeR70A (polymer, Thiol state: all free), 153 monomers, 16756.83 Da Detail

MRSATDLLDE LNAVDESARI EAKRASDMGK SVMETVIAFA NEPGLDGGYL LLGVDWAIND KGDTVYRPVG LPDPDKVQRD LASQCASMLN VALRPEMQLE QVGGKTLLVV YVPEADVTHK PIYKKATGLP GGAYRRIGSS DQRCVLEHHH HHH

Formula weight

16756.83 Da

Source organism

Nitrosomonas europaea

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

RDCs, assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 97.4 %, Completeness: 95.4 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.4 % (1630 of 1709)	94.7 % (838 of 885)	96.0 % (642 of 669)	96.8 % (150 of 155)
Backbone	96.1 % (867 of 902)	95.5 % (297 of 311)	96.4 % (430 of 446)	96.6 % (140 of 145)
Sidechain	94.8 % (898 of 947)	94.3 % (541 of 574)	95.6 % (347 of 363)	100.0 % (10 of 10)
Aromatic	81.1 % (73 of 90)	80.0 % (36 of 45)	81.8 % (36 of 44)	100.0 % (1 of 1)
Methyl	100.0 % (180 of 180)	100.0 % (90 of 90)	100.0 % (90 of 90)

1. NeR70A

MRSATDLLDE LNAVDESARI EAKRASDMGK SVMETVIAFA NEPGLDGGYL LLGVDWAIND KGDTVYRPVG LPDPDKVQRD LASQCASMLN VALRPEMQLE QVGGKTLLVV YVPEADVTHK PIYKKATGLP GGAYRRIGSS DQRCVLEHHH HHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-5% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
9	NeR70A	[U-5% 13C; U-100% 15N]	0.9 mM
10	MES	natural abundance	20 mM
11	sodium chloride	natural abundance	100 mM
12	calcium chloride	natural abundance	5 mM
13	DTT	natural abundance	10 mM
14	sodium azide	natural abundance	0.02 %
15	H2O	natural abundance	95 %
16	D2O	natural abundance	5 %

Sample #3

Solvent system 88% H2O/12% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.6 mM [U-5% 13C; U-100% 15N] NeR70A aligned in Pf1 phage, 88% H2O/12% D2O

#	Name	Isotope labeling	Concentration
17	NeR70A	[U-5% 13C; U-100% 15N]	0.6 mM
18	MES	natural abundance	13 mM
19	sodium chloride	natural abundance	66 mM
20	calcium chloride	natural abundance	3.3 mM
21	DTT	natural abundance	6.6 mM
22	sodium azide	natural abundance	0.013 %
23	Pf1 phage	natural abundance	13.5 mg/mL
24	H2O	natural abundance	88 %
25	D2O	natural abundance	12 %

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: -0.04 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: -0.04 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: -0.08 ppm, Outliers: 5 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: 0.06 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

RDC

103 RDC values in 1 lists
Field strength (¹H) 599.7664 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Release date

2010-08-09

Related entities 1. NeR70A, : 1 entities Detail

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

2 2D 1H-13C CT-HSQC 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 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

3 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

5 3D HNCACB

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

6 2D 1H-13C HSQC 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 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

7 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

8 2D 1H-13C CT-HSQC 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 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

9 3D HN(CA)CO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

10 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

11 3D HCCH-COSY aliphatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

12 3D HCCH-TOCSY aliphatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

13 3D HCCH-COSY aromatic

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

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

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-5% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
9	NeR70A	[U-5% 13C; U-100% 15N]	0.9 mM
10	MES	natural abundance	20 mM
11	sodium chloride	natural abundance	100 mM
12	calcium chloride	natural abundance	5 mM
13	DTT	natural abundance	10 mM
14	sodium azide	natural abundance	0.02 %
15	H2O	natural abundance	95 %
16	D2O	natural abundance	5 %

15 2D 1H-15N LR-HSQC (Histidine)

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-100% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	NeR70A	[U-100% 13C; U-100% 15N]	0.9 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

16 2D 1H-15N J-modulated HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.9 mM [U-5% 13C; U-100% 15N] NeR70A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
9	NeR70A	[U-5% 13C; U-100% 15N]	0.9 mM
10	MES	natural abundance	20 mM
11	sodium chloride	natural abundance	100 mM
12	calcium chloride	natural abundance	5 mM
13	DTT	natural abundance	10 mM
14	sodium azide	natural abundance	0.02 %
15	H2O	natural abundance	95 %
16	D2O	natural abundance	5 %

17 2D 1H-15N J-modulated HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State anisotropic, Solvent system 88% H2O/12% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.6 mM [U-5% 13C; U-100% 15N] NeR70A aligned in Pf1 phage, 88% H2O/12% D2O

#	Name	Isotope labeling	Concentration
17	NeR70A	[U-5% 13C; U-100% 15N]	0.6 mM
18	MES	natural abundance	13 mM
19	sodium chloride	natural abundance	66 mM
20	calcium chloride	natural abundance	3.3 mM
21	DTT	natural abundance	6.6 mM
22	sodium azide	natural abundance	0.013 %
23	Pf1 phage	natural abundance	13.5 mg/mL
24	H2O	natural abundance	88 %
25	D2O	natural abundance	12 %

NMR combined restraints 7 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_16991_2kyy.nef
Input source #2: Coordindates	2kyy.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
MRSATDLLDELNAVDESARIEAKRASDMGKSVMETVIAFANEPGLDGGYLLLGVDWAINDKGDTVYRPVGLPDPDKVQRDLASQCASMLNVALRPEMQLE
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MRSATDLLDELNAVDESARIEAKRASDMGKSVMETVIAFANEPGLDGGYLLLGVDWAINDKGDTVYRPVGLPDPDKVQRDLASQCASMLNVALRPEMQLE

-------110-------120-------130-------140-------150---
QVGGKTLLVVYVPEADVTHKPIYKKATGLPGGAYRRIGSSDQRCVLEHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||
QVGGKTLLVVYVPEADVTHKPIYKKATGLPGGAYRRIGSSDQRCVLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	153	0	0	100.0

Content subtype: combined_16991_2kyy.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1637		96.7 (chain: A, length: 153)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	3117 (1)	noe	91.5 (chain: A, length: 153)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	3117 (1)	noe	91.5 (chain: A, length: 153)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	212 (212)	.	81.7 (chain: A, length: 153)
2	Dihedral angle restraints	CNS/XPLOR_dihedral_5	OK	212 (212)	.	81.7 (chain: A, length: 153)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_6	OK	81 (81)	.	52.9 (chain: A, length: 153)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 153, Sequence coverage: 96.7%
- Total number of assignments
  - ¹H chemical shifts: 842
  - ¹³C chemical shifts: 642
  - ¹⁵N chemical shifts: 153
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
31	SER	HG	4.85
119	HIS	ND1	219.455
119	HIS	NE2	174.552

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	885	841	95.0
¹³C chemical shifts	669	642	96.0
¹⁵N chemical shifts	164	151	92.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	311	298	95.8
¹³C chemical shifts	306	296	96.7
¹⁵N chemical shifts	145	139	95.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	574	543	94.6
¹³C chemical shifts	363	346	95.3
¹⁵N chemical shifts	19	12	63.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	95	95	100.0
¹³C chemical shifts	95	95	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	45	33	73.3
¹³C chemical shifts	44	32	72.7
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: 153, Sequence coverage: 91.5%
- Total number of restraints: 3113
- Weight of restraints: 1.0 (3113)
- Potential type of restraints: square-well-parabolic (3113)
- Range of distance target values: 1.51, 3.15 (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: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 153, Sequence coverage: 91.5%
  - Total number of restraints: 3113
  - Weight of restraints: 1.0 (3113)
  - Potential type of restraints: square-well-parabolic (3113)
  - Range of distance target values: 1.51, 3.15 (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: 153, Sequence coverage: 81.7%
- 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
- Saveframe: CNS/XPLOR_dihedral_5
  - Status: OK
  - Experiment type: .
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 153, Sequence coverage: 81.7%
  - 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

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_6

Status: OK
Experiment type: .

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 153, Sequence coverage: 52.9%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MRSATDLLDELNAVDESARIEAKRASDMGKSVMETVIAFANEPGLDGGYLLLGVDWAINDKGDTVYRPVGLPDPDKVQRDLASQCASMLNVALRPEMQLE
 |||||||||||| |||  || ||||||   ||   |||    ||| ||| ||||         ||| ||| | ||||||   |||| ||  |  | |||
.RSATDLLDELNA.DES..IE.KRASDM...VM...IAF....GLD.GYL.LGVD.........VYR.VGL.D.DKVQRD...QCAS.LN..L..E.QLE
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

-------110-------120-------130-------140-------150---
QVGGKTLLVVYVPEADVTHKPIYKKATGLPGGAYRRIGSSDQRCVLEHHHHHH
|||||||||||| |||||||                                 
QVGGKTLLVVYV.EADVTHK                                 
-------110-------120

Total number of restraints: 81
Potential type of restraints: undefined (81)
Range of observed RDC values: 100.0, -100.0 (Hz)
RDC restraints per residue
- Chain_ID: A
  None

Keywords Northeast Structural Genomics Consortium (NESG), PSI-2, Protein NMR, Protein Structure Initiative, Structural Genomics, Target NeR70A

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Found 1 Document (0.678 seconds)

BMRB: 16991

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Related entities 1. NeR70A, : 1 entities Detail

Experiments performed 17 experiments Detail

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NMR combined restraints 7 contents Detail