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BMRB: 16901

2K6T

Solution structure of the relaxin-like factor

Authors

Bullesbach, E.E., Hass, M.A.S., Jensen, M.R., Hansen, F.D., Kristensen, S.M., Schwabe, C., Led, J.J.

Assembly

Human Relaxin-like Factor

Entity

1. RLF-A (polymer, Thiol state: all disulfide bound), 26 monomers, 2777.179 Da Detail

AAATNPARYC CLSGCTQQDL LTLCPY

2. RLF-B (polymer, Thiol state: all disulfide bound), 31 monomers, 3521.061 Da Detail

PTPEMREKLC GHHFVRALVR VCGGPRWSTE A

Total weight

6298.24 Da

Max. entity weight

3521.061 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS10:SG	1:CYS15:SG
2	disulfide	sing	1:CYS11:SG	2:CYS10:SG
3	disulfide	sing	1:CYS24:SG	2:CYS22:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 57.1 %, Completeness (bb): 44.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	57.1 % (360 of 631)	94.8 % (310 of 327)	16.5 % (41 of 248)	16.1 % (9 of 56)
Backbone	44.3 % (147 of 332)	96.5 % (109 of 113)	17.4 % (29 of 167)	17.3 % (9 of 52)
Sidechain	63.4 % (223 of 352)	93.9 % (201 of 214)	16.4 % (22 of 134)	0.0 % (0 of 4)
Aromatic	52.2 % (24 of 46)	95.7 % (22 of 23)	9.1 % (2 of 22)	0.0 % (0 of 1)
Methyl	53.4 % (31 of 58)	100.0 % (29 of 29)	6.9 % (2 of 29)

1. RLF-A

AAATNPARYC CLSGCTQQDL LTLCPY

2. RLF-B

PTPEMREKLC GHHFVRALVR VCGGPRWSTE A

Show sample condition

Sample #1

Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

Sample #2

Solvent system 100% D2O, Temperature 308 K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	RLF-A	natural abundance	1.2 mM
7	RLF-B	natural abundance	1.2 mM
8	Na-d4-acetate/NaOD	natural abundance	40 mM
9	D2O	natural abundance	100 %

Sample #3

Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM d4-actic acid / NaOD pH 5.0

#	Name	Isotope labeling	Concentration
10	RLF-A	[U-15N]	0.2 ~ 1.2 mM
11	RLF-B	[U-15N]	0.2 ~ 1.2 mM
12	d4-acetic acid/NaOD	natural abundance	40 mM
13	H2O	natural abundance	92 %
14	D2O	natural abundance	8 %

Chem. Shift Complete2

Sequence coverage: 100.0 %, Completeness: 54.0 %, Completeness (bb): 40.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	54.0 % (682 of 1262)	93.9 % (614 of 654)	11.5 % (57 of 496)	9.8 % (11 of 112)
Backbone	40.4 % (268 of 664)	94.7 % (214 of 226)	12.9 % (43 of 334)	10.6 % (11 of 104)
Sidechain	60.9 % (429 of 704)	93.5 % (400 of 428)	10.8 % (29 of 268)	0.0 % (0 of 8)
Aromatic	50.0 % (46 of 92)	95.7 % (44 of 46)	4.5 % (2 of 44)	0.0 % (0 of 2)
Methyl	52.6 % (61 of 116)	100.0 % (58 of 58)	5.2 % (3 of 58)

1. RLF-A

AAATNPARYC CLSGCTQQDL LTLCPY

2. RLF-B

PTPEMREKLC GHHFVRALVR VCGGPRWSTE A

Show sample condition

Sample #1

Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

Sample #2

Solvent system 100% D2O, Temperature 308 K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	RLF-A	natural abundance	1.2 mM
7	RLF-B	natural abundance	1.2 mM
8	Na-d4-acetate/NaOD	natural abundance	40 mM
9	D2O	natural abundance	100 %

Sample #3

Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM d4-actic acid / NaOD pH 5.0

#	Name	Isotope labeling	Concentration
10	RLF-A	[U-15N]	0.2 ~ 1.2 mM
11	RLF-B	[U-15N]	0.2 ~ 1.2 mM
12	d4-acetic acid/NaOD	natural abundance	40 mM
13	H2O	natural abundance	92 %
14	D2O	natural abundance	8 %

Chem. Shift Complete3

Sequence coverage: 70.2 %, Completeness: 43.0 %, Completeness (bb): 37.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.0 % (814 of 1893)	69.5 % (682 of 981)	15.6 % (116 of 744)	9.5 % (16 of 168)
Backbone	37.0 % (369 of 996)	75.5 % (256 of 339)	19.4 % (97 of 501)	10.3 % (16 of 156)
Sidechain	44.8 % (473 of 1056)	66.4 % (426 of 642)	11.7 % (47 of 402)	0.0 % (0 of 12)
Aromatic	33.3 % (46 of 138)	63.8 % (44 of 69)	3.0 % (2 of 66)	0.0 % (0 of 3)
Methyl	45.4 % (79 of 174)	77.0 % (67 of 87)	13.8 % (12 of 87)

1. RLF-A

AAATNPARYC CLSGCTQQDL LTLCPY

2. RLF-B

PTPEMREKLC GHHFVRALVR VCGGPRWSTE A

Show sample condition

Sample #1

Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

Sample #2

Solvent system 100% D2O, Temperature 308 K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	RLF-A	natural abundance	1.2 mM
7	RLF-B	natural abundance	1.2 mM
8	Na-d4-acetate/NaOD	natural abundance	40 mM
9	D2O	natural abundance	100 %

Sample #3

Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM d4-actic acid / NaOD pH 5.0

#	Name	Isotope labeling	Concentration
10	RLF-A	[U-15N]	0.2 ~ 1.2 mM
11	RLF-B	[U-15N]	0.2 ~ 1.2 mM
12	d4-acetic acid/NaOD	natural abundance	40 mM
13	H2O	natural abundance	92 %
14	D2O	natural abundance	8 %

Chem. Shift Complete4

Sequence coverage: 17.5 %, Completeness: 33.4 %, Completeness (bb): 29.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	33.4 % (842 of 2524)	53.1 % (695 of 1308)	12.4 % (123 of 992)	10.7 % (24 of 224)
Backbone	29.8 % (396 of 1328)	59.3 % (268 of 452)	15.6 % (104 of 668)	11.5 % (24 of 208)
Sidechain	33.9 % (477 of 1408)	49.9 % (427 of 856)	9.3 % (50 of 536)	0.0 % (0 of 16)
Aromatic	25.0 % (46 of 184)	47.8 % (44 of 92)	2.3 % (2 of 88)	0.0 % (0 of 4)
Methyl	34.5 % (80 of 232)	58.6 % (68 of 116)	10.3 % (12 of 116)

1. RLF-A

AAATNPARYC CLSGCTQQDL LTLCPY

2. RLF-B

PTPEMREKLC GHHFVRALVR VCGGPRWSTE A

Show sample condition

Sample #1

Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

Sample #2

Solvent system 100% D2O, Temperature 308 K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	RLF-A	natural abundance	1.2 mM
7	RLF-B	natural abundance	1.2 mM
8	Na-d4-acetate/NaOD	natural abundance	40 mM
9	D2O	natural abundance	100 %

Sample #3

Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM d4-actic acid / NaOD pH 5.0

#	Name	Isotope labeling	Concentration
10	RLF-A	[U-15N]	0.2 ~ 1.2 mM
11	RLF-B	[U-15N]	0.2 ~ 1.2 mM
12	d4-acetic acid/NaOD	natural abundance	40 mM
13	H2O	natural abundance	92 %
14	D2O	natural abundance	8 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2K6T, Strand ID: A, B Detail

Release date

2010-05-18

Citation

Solution Structure of a Conformationally Restricted Fully Active Derivative of the Human Relaxin-like Factor (dagger) (double dagger)
Bullesbach, E.E., Hass, M.A.S., Jensen, M.R., Hansen, D., Kristensen, S.M., Schwabe, C., Led, J.J.
Biochemistry (2008), PubMed , DOI:

Related entities 1. RLF-A, : 1 : 5 : 1 : 12 entities Detail

Related entities 2. RLF-B, : 3 : 3 : 12 entities Detail

Experiments performed 17 experiments Detail

1 2D DQF-COSY

Instrument

Varian INOVA - 800 MHz with cryo-probe

Sample

State isotropic, Solvent system 100% D2O, Temperature 288 K, pH 2.7 (±0.2)

#	Name	Isotope labeling	Concentration
6	RLF-A	natural abundance	1.2 mM
7	RLF-B	natural abundance	1.2 mM
8	Na-d4-acetate/NaOD	natural abundance	40 mM
9	D2O	natural abundance	100 %

2 2D DQF-COSY

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 100% D2O, Temperature 308 K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	RLF-A	natural abundance	1.2 mM
7	RLF-B	natural abundance	1.2 mM
8	Na-d4-acetate/NaOD	natural abundance	40 mM
9	D2O	natural abundance	100 %

3 2D DQF-COSY

Instrument

Varian INOVA - 800 MHz with cryo-probe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

4 2D 1H-1H TOCSY

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 100% D2O, Temperature 308 K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	RLF-A	natural abundance	1.2 mM
7	RLF-B	natural abundance	1.2 mM
8	Na-d4-acetate/NaOD	natural abundance	40 mM
9	D2O	natural abundance	100 %

5 2D 1H-1H TOCSY

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

6 2D 1H-13C HSQC

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 100% D2O, Temperature 308 K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	RLF-A	natural abundance	1.2 mM
7	RLF-B	natural abundance	1.2 mM
8	Na-d4-acetate/NaOD	natural abundance	40 mM
9	D2O	natural abundance	100 %

7 2D 1H-1H NOESY

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 100% D2O, Temperature 288 K, pH 2.7 (±0.2)

#	Name	Isotope labeling	Concentration
6	RLF-A	natural abundance	1.2 mM
7	RLF-B	natural abundance	1.2 mM
8	Na-d4-acetate/NaOD	natural abundance	40 mM
9	D2O	natural abundance	100 %

8 2D 1H-1H NOESY

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 100% D2O, Temperature 308 K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	RLF-A	natural abundance	1.2 mM
7	RLF-B	natural abundance	1.2 mM
8	Na-d4-acetate/NaOD	natural abundance	40 mM
9	D2O	natural abundance	100 %

9 2D 1H-1H NOESY

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Temperature 293 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

10 2D 1H-1H NOESY

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Temperature 296 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

11 2D 1H-1H NOESY

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Temperature 301 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

12 2D 1H-1H NOESY

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Temperature 303 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

13 2D 1H-1H NOESY

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Temperature 306 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

14 2D 1H-1H NOESY

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

15 2D 1H-1H NOESY

Instrument

Varian INOVA - 500 MHz with cryo-probe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Temperature 313 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

16 2D 1H-15N HSQC

Instrument

Varian INOVA - 800 MHz with cryo-probe

Sample

State isotropic, Solvent system 92% H2O/8% D2O, Temperature 308 K, pH 5.0 (±0.1), Details 40 mM Na-d4-acetate/NaOD pH 5.0

#	Name	Isotope labeling	Concentration
1	RLF-A	natural abundance	0.1 ~ 1.2 mM
2	RLF-B	natural abundance	0.1 ~ 1.2 mM
3	Na-d4-acetate/NaOD	natural abundance	40 mM
4	H2O	natural abundance	92 %
5	D2O	natural abundance	8 %

17 2D 1H-13C HSQC

Instrument

Varian INOVA - 800 MHz with cryo-probe

Sample

State isotropic, Solvent system 100% D2O, Temperature 308 K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Concentration
6	RLF-A	natural abundance	1.2 mM
7	RLF-B	natural abundance	1.2 mM
8	Na-d4-acetate/NaOD	natural abundance	40 mM
9	D2O	natural abundance	100 %

NMR combined restraints 7 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_16901_2k6t.nef
Input source #2: Coordindates	2k6t.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
A:115:CYS:SG	A:120:CYS:SG	unknown	unknown	2.025
A:116:CYS:SG	B:34:CYS:SG	unknown	unknown	2.03
A:129:CYS:SG	B:46:CYS:SG	unknown	unknown	2.038

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

--110-------120-------130-
AAATNPARYCCLSGCTQQDLLTLCPY
||||||||||||||||||||||||||
AAATNPARYCCLSGCTQQDLLTLCPY
--------10--------20------

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

----30--------40--------50-----
PTPEMREKLCGHHFVRALVRVCGGPRWSTEA
|||||||||||||||||||||||||||||||
PTPEMREKLCGHHFVRALVRVCGGPRWSTEA
--------10--------20--------30-

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	26	0	0	100.0
B	B	31	0	0	100.0

Content subtype: combined_16901_2k6t.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	3		No information
1	Assigned chemical shifts	1H-1H_H2O_noesy_308K	OK	314		100.0 (chain: A, length: 26), 100.0 (chain: B, length: 31)
2	Assigned chemical shifts	1H-1H_D2O_noesy_308K	OK	304		100.0 (chain: A, length: 26), 96.8 (chain: B, length: 31)
3	Assigned chemical shifts	1H-13C_HSQC_308K	OK	96		69.2 (chain: A, length: 26), 64.5 (chain: B, length: 31)
4	Assigned chemical shifts	1H-15N_HSQC_noesy_308K	Warning	13		19.2 (chain: A, length: 26)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	26 (1)	hbond	42.3 (chain: A, length: 26), 35.5 (chain: B, length: 31)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	53 (53)	.	53.8 (chain: A, length: 26), 45.2 (chain: B, length: 31)

Assigned chemical shifts

Saveframe: 1H-1H_H2O_noesy_308K
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 100.0%
  - Entity_assembly_ID: B, Chain length: 31, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 314
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A
  - Chain_ID: B
Saveframe: 1H-1H_D2O_noesy_308K
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 100.0%
  - Entity_assembly_ID: B, Chain length: 31, Sequence coverage: 96.8%
- Total number of assignments
  - ¹H chemical shifts: 304
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A
  - Chain_ID: B
Saveframe: 1H-13C_HSQC_308K
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 69.2%
  - Entity_assembly_ID: B, Chain length: 31, Sequence coverage: 64.5%
- Total number of assignments
  - ¹H chemical shifts: 48
  - ¹³C chemical shifts: 48
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- Redox state of CYS
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A
  - Chain_ID: B
Saveframe: 1H-15N_HSQC_noesy_308K
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 19.2%
- Total number of assignments
  - ¹H chemical shifts: 9
  - ¹⁵N chemical shifts: 4
- Completeness of assignments
- 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	140	138	98.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	51	49	96.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	89	89	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	15	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	8	8	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	187	176	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	62	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	125	114	91.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	14	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	14	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	140	137	97.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	51	49	96.1

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: hbond
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 42.3%
  - Entity_assembly_ID: B, Chain length: 31, Sequence coverage: 35.5%
- Total number of restraints: 26
- Weight of restraints: 1.0 (26)
- Potential type of restraints: square-well-parabolic (26)
- Range of distance target values: 2.05, 3.05 (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_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 53.8%
  - Entity_assembly_ID: B, Chain length: 31, Sequence coverage: 45.2%
- Total number of restraints: 53
- Total number of restraints per polymer type: 53
- Weight of restraints: 1.0 (53)
- Potential type of restraints: square-well-parabolic (53)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords protein

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Found 1 Document (0.831 seconds)

BMRB: 16901

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Related entities 1. RLF-A, : 1 : 5 : 1 : 12 entities Detail

Related entities 2. RLF-B, : 3 : 3 : 12 entities Detail

Experiments performed 17 experiments Detail

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NMR combined restraints 7 contents Detail