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BMRB: 19552

2MFJ

Solution structure of Blo t 19, a minor dust mite allergen from Blomia tropicalis.

Authors

Naik, M.T., Naik, N., Huang, T.

Assembly

Blo t 19, a minor dust mite allergen from Blomia tropicalis

Entity

1. Blo t 19, a minor dust mite allergen from Blomia tropicalis (polymer, Thiol state: all disulfide bound), 68 monomers, 6936.757 × 2 Da Detail

GSALDFTSCA RMNDGALGAK VAQAACISSC KFQNCGTGHC ERRGGRPTCV CSRCGNGGGE WPNLPSRG

Total weight

13873.514 Da

Max. entity weight

6936.757 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS9:SG	1:CYS40:SG
2	disulfide	sing	1:CYS26:SG	1:CYS49:SG
3	disulfide	sing	1:CYS30:SG	1:CYS51:SG
4	disulfide	sing	1:CYS35:SG	1:CYS54:SG

Source organism

Blomia tropicalis

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 98.8 %, Completeness (bb): 98.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	98.8 % (681 of 689)	99.4 % (357 of 359)	98.1 % (253 of 258)	98.6 % (71 of 72)
Backbone	98.5 % (396 of 402)	99.3 % (144 of 145)	97.9 % (188 of 192)	98.5 % (64 of 65)
Sidechain	99.4 % (341 of 343)	99.5 % (213 of 214)	99.2 % (121 of 122)	100.0 % (7 of 7)
Aromatic	94.4 % (34 of 36)	94.4 % (17 of 18)	94.1 % (16 of 17)	100.0 % (1 of 1)
Methyl	100.0 % (44 of 44)	100.0 % (22 of 22)	100.0 % (22 of 22)

1. Blo t 19

GSALDFTSCA RMNDGALGAK VAQAACISSC KFQNCGTGHC ERRGGRPTCV CSRCGNGGGE WPNLPSRG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 15N Blo t 19

#	Name	Isotope labeling	Concentration
6	Blo t 19	[U-100% 15N]	1 (±0.05) mM
7	potassium phosphate	natural abundance	50 (±1.0) mM
8	sodium chloride	natural abundance	100 (±1.0) mM
9	H2O	natural abundance	90 (±1.0) %
10	D2O	natural abundance	10 (±1.0) %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details Blo t 19

#	Name	Isotope labeling	Concentration
11	Blo t 19	natural abundance	1 (±0.05) mM
12	potassium phosphate	natural abundance	50 (±1.0) mM
13	sodium chloride	natural abundance	100 (±1.0) mM
14	H2O	natural abundance	90 (±1.0) %
15	D2O	natural abundance	10 (±1.0) %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 15N Blo t 19 in Pf1 phage alignment medium.

#	Name	Isotope labeling	Concentration
16	Blo t 19	[U-100% 15N]	1 (±0.05) mM
17	potassium phosphate	natural abundance	50 (±1.0) mM
18	sodium chloride	natural abundance	100 (±1.0) mM
19	Pf1 phage	natural abundance	15 (±0.1) mg/mL
20	H2O	natural abundance	90 (±0.1) %
21	D2O	natural abundance	10 (±0.1) %

Chem. Shift Complete2

Sequence coverage: 20.6 %, Completeness: 55.5 %, Completeness (bb): 56.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	55.5 % (765 of 1378)	54.9 % (394 of 718)	55.8 % (288 of 516)	57.6 % (83 of 144)
Backbone	56.7 % (456 of 804)	55.5 % (161 of 290)	57.3 % (220 of 384)	57.7 % (75 of 130)
Sidechain	54.5 % (374 of 686)	54.4 % (233 of 428)	54.5 % (133 of 244)	57.1 % (8 of 14)
Aromatic	52.8 % (38 of 72)	52.8 % (19 of 36)	50.0 % (17 of 34)	100.0 % (2 of 2)
Methyl	54.5 % (48 of 88)	54.5 % (24 of 44)	54.5 % (24 of 44)

1. Blo t 19

GSALDFTSCA RMNDGALGAK VAQAACISSC KFQNCGTGHC ERRGGRPTCV CSRCGNGGGE WPNLPSRG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 15N Blo t 19

#	Name	Isotope labeling	Concentration
6	Blo t 19	[U-100% 15N]	1 (±0.05) mM
7	potassium phosphate	natural abundance	50 (±1.0) mM
8	sodium chloride	natural abundance	100 (±1.0) mM
9	H2O	natural abundance	90 (±1.0) %
10	D2O	natural abundance	10 (±1.0) %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details Blo t 19

#	Name	Isotope labeling	Concentration
11	Blo t 19	natural abundance	1 (±0.05) mM
12	potassium phosphate	natural abundance	50 (±1.0) mM
13	sodium chloride	natural abundance	100 (±1.0) mM
14	H2O	natural abundance	90 (±1.0) %
15	D2O	natural abundance	10 (±1.0) %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 15N Blo t 19 in Pf1 phage alignment medium.

#	Name	Isotope labeling	Concentration
16	Blo t 19	[U-100% 15N]	1 (±0.05) mM
17	potassium phosphate	natural abundance	50 (±1.0) mM
18	sodium chloride	natural abundance	100 (±1.0) mM
19	Pf1 phage	natural abundance	15 (±0.1) mg/mL
20	H2O	natural abundance	90 (±0.1) %
21	D2O	natural abundance	10 (±0.1) %

Protein Blocks Logo

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

Release date

2014-11-16

Citation

Solution structure of Blo 1 19
Naik, M., Naik, N., Kuo, I., Liao, Y., Huang, T.
Not known

Related entities 1. Blo t 19, a minor dust mite allergen from Blomia tropicalis, : 1 : 3 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 15N Blo t 19

#	Name	Isotope labeling	Concentration
6	Blo t 19	[U-100% 15N]	1 (±0.05) mM
7	potassium phosphate	natural abundance	50 (±1.0) mM
8	sodium chloride	natural abundance	100 (±1.0) mM
9	H2O	natural abundance	90 (±1.0) %
10	D2O	natural abundance	10 (±1.0) %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

3 3D HNCO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

4 3D HN(CA)CO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

5 3D HNCA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

6 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

7 3D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

8 3D HNHA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

9 3D HCCH-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

10 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

11 2D-hbCBcgcdHD

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

12 2D-hbCBcgcdceHE

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

13 2D-TOCSY

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details Blo t 19

#	Name	Isotope labeling	Concentration
11	Blo t 19	natural abundance	1 (±0.05) mM
12	potassium phosphate	natural abundance	50 (±1.0) mM
13	sodium chloride	natural abundance	100 (±1.0) mM
14	H2O	natural abundance	90 (±1.0) %
15	D2O	natural abundance	10 (±1.0) %

14 3D 1H-15N TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 15N Blo t 19

#	Name	Isotope labeling	Concentration
6	Blo t 19	[U-100% 15N]	1 (±0.05) mM
7	potassium phosphate	natural abundance	50 (±1.0) mM
8	sodium chloride	natural abundance	100 (±1.0) mM
9	H2O	natural abundance	90 (±1.0) %
10	D2O	natural abundance	10 (±1.0) %

15 2D 1H-1H NOESY

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details Blo t 19

#	Name	Isotope labeling	Concentration
11	Blo t 19	natural abundance	1 (±0.05) mM
12	potassium phosphate	natural abundance	50 (±1.0) mM
13	sodium chloride	natural abundance	100 (±1.0) mM
14	H2O	natural abundance	90 (±1.0) %
15	D2O	natural abundance	10 (±1.0) %

16 3D 1H-13C NOESYHSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

17 3D 1H-15N NOESYHSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 13C, 15N Blo t 19

#	Name	Isotope labeling	Concentration
1	Blo t 19	[U-100% 13C; U-100% 15N]	1 (±0.05) mM
2	potassium phosphate	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	100 (±1.0) mM
4	H2O	natural abundance	90 (±1.0) %
5	D2O	natural abundance	10 (±1.0) %

18 2D 1H-15N IPAP HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 (±0.1) K, pH 6.0 (±0.1), Details 15N Blo t 19 in Pf1 phage alignment medium.

#	Name	Isotope labeling	Concentration
16	Blo t 19	[U-100% 15N]	1 (±0.05) mM
17	potassium phosphate	natural abundance	50 (±1.0) mM
18	sodium chloride	natural abundance	100 (±1.0) mM
19	Pf1 phage	natural abundance	15 (±0.1) mg/mL
20	H2O	natural abundance	90 (±0.1) %
21	D2O	natural abundance	10 (±0.1) %

NMR combined restraints 8 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_19552_2mfj.nef
Input source #2: Coordindates	2mfj.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:9:CYS:SG	A:40:CYS:SG	oxidized, CA 57.155, CB 41.841 ppm	oxidized, CA 53.75, CB 40.792 ppm	2.025
A:26:CYS:SG	A:49:CYS:SG	oxidized, CA 55.572, CB 36.331 ppm	oxidized, CA 54.97, CB 36.652 ppm	2.026
A:30:CYS:SG	A:51:CYS:SG	oxidized, CA 58.035, CB 36.392 ppm	oxidized, CA 53.045, CB 37.991 ppm	2.025
A:35:CYS:SG	A:54:CYS:SG	oxidized, CA 55.882, CB 46.807 ppm	oxidized, CA 56.833, CB 43.446 ppm	2.035

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--------
GSALDFTSCARMNDGALGAKVAQAACISSCKFQNCGTGHCERRGGRPTCVCSRCGNGGGEWPNLPSRG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSALDFTSCARMNDGALGAKVAQAACISSCKFQNCGTGHCERRGGRPTCVCSRCGNGGGEWPNLPSRG

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	68	0	0	100.0

Content subtype: combined_19552_2mfj.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	4		No information
1	Assigned chemical shifts	Major_Conformer	Warning	687		100.0 (chain: A, length: 68)
2	Assigned chemical shifts	Minor_Conformer	Warning	47		8.8 (chain: A, length: 68)
1	Distance restraints	CNS/XPLOR_distance_constraints_5	OK	1647 (1)	noe	97.1 (chain: A, length: 68)
2	Distance restraints	CNS/XPLOR_distance_constraints_6	Warning	12 (1)	undefined	11.8 (chain: A, length: 68)
3	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	54 (1)	hbond	48.5 (chain: A, length: 68)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	78 (78)	.	69.1 (chain: A, length: 68)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_7	OK	61 (61)	.	89.7 (chain: A, length: 68)

Assigned chemical shifts

Saveframe: Major_Conformer
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 68, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 357
  - ¹³C chemical shifts: 253
  - ¹⁵N chemical shifts: 77
- 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
Saveframe: Minor_Conformer
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 68, Sequence coverage: 8.8%
- Total number of assignments
  - ¹³C chemical shifts: 17
  - ¹H chemical shifts: 25
  - ¹⁵N chemical shifts: 5
- Completeness of assignments
- 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	359	357	99.4
¹³C chemical shifts	258	253	98.1
¹⁵N chemical shifts	78	77	98.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	145	144	99.3
¹³C chemical shifts	136	132	97.1
¹⁵N chemical shifts	65	64	98.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	214	213	99.5
¹³C chemical shifts	122	121	99.2
¹⁵N chemical shifts	13	13	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	23	23	100.0
¹³C chemical shifts	23	23	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	18	17	94.4
¹³C chemical shifts	17	16	94.1
¹⁵N chemical shifts	1	1	100.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_5
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 68, Sequence coverage: 97.1%
- Total number of restraints: 1647
- Weight of restraints: 1.0 (1647)
- Potential type of restraints: square-well-parabolic (1647)
- Range of distance target values: 2.14, 3.9 (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_6
  - Status: Warning
  - Experiment type: undefined
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 68, Sequence coverage: 11.8%
  - Total number of restraints: 12
  - Weight of restraints: 1.0 (12)
  - Potential type of restraints: square-well-parabolic (12)
  - Range of distance target values: 2.15, 2.65 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map
  - Saveframe: CNS/XPLOR_distance_constraints_3
    - Status: OK
    - Experiment type: hbond
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 68, Sequence coverage: 48.5%
    - Total number of restraints: 54
    - Weight of restraints: 1.0 (54)
    - Potential type of restraints: square-well-parabolic (54)
    - Range of distance target values: 1.96, 2.46 (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_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 68, Sequence coverage: 69.1%
- Total number of restraints: 78
- Total number of restraints per polymer type: 78
- Weight of restraints: 1.0 (78)
- Potential type of restraints: square-well-parabolic (78)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_7
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 68, Sequence coverage: 89.7%
- Total number of restraints: 61
- Potential type of restraints: undefined (61)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue
  - Chain_ID: A
    None

Keywords Allergen, Anti-microbial Protein

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Found 1 Document (0.635 seconds)

BMRB: 19552

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Related entities 1. Blo t 19, a minor dust mite allergen from Blomia tropicalis, : 1 : 3 entities Detail

Experiments performed 18 experiments Detail

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NMR combined restraints 8 contents Detail