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Found 1 Document (1.284 seconds)

BMRB: 4940

3BFA

1H, 13C and 15N chemical shift assignment of the honeybee pheromone carrier protein ASP1

Authors

Birlirakis, N., Briand, L., Pernollet, J., Guittet, E.

Assembly

Antennal Specific Protein 1

Entity

1. Antennal Specific Protein 1 (polymer, Thiol state: all disulfide bound), 119 monomers, 13186.72 Da Detail

APDWVPPEVF DLVAEDKARC MSEHGTTQAQ IDDVDKGNLV NEPSITCYMY CLLEAFSLVD DEANVDEDIM LGLLPDQLQE RAQSVMGKCL PTSGSDNCNK IYNLAKCVQE SAPDVWFVI

Formula weight

13186.72 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS20:SG	1:CYS51:SG
2	disulfide	sing	1:CYS47:SG	1:CYS107:SG
3	disulfide	sing	1:CYS89:SG	1:CYS98:SG

Source organism

Apis mellifera

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.6 %, Completeness: 79.7 %, Completeness (bb): 93.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.7 % (1065 of 1336)	82.4 % (568 of 689)	75.8 % (395 of 521)	81.0 % (102 of 126)
Backbone	93.9 % (657 of 700)	93.2 % (220 of 236)	95.5 % (336 of 352)	90.2 % (101 of 112)
Sidechain	68.5 % (514 of 750)	76.8 % (348 of 453)	58.3 % (165 of 283)	7.1 % (1 of 14)
Aromatic	9.8 % (8 of 82)	19.5 % (8 of 41)	0.0 % (0 of 39)	0.0 % (0 of 2)
Methyl	79.9 % (107 of 134)	94.0 % (63 of 67)	65.7 % (44 of 67)

1. Antennal Specific Protein 1

APDWVPPEVF DLVAEDKARC MSEHGTTQAQ IDDVDKGNLV NEPSITCYMY CLLEAFSLVD DEANVDEDIM LGLLPDQLQE RAQSVMGKCL PTSGSDNCNK IYNLAKCVQE SAPDVWFVI

Show sample condition

Sample #1

Temperature 295 (±0.1) K, pH 5.6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Antennal Specific Protein 1			1.0 ~ 1.5 mM

Sample #2

Temperature 295 (±0.1) K, pH 5.6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Antennal Specific Protein 1	[U-95% 15N]		1.0 ~ 1.5 mM

Sample #3

Temperature 295 (±0.1) K, pH 5.6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Antennal Specific Protein 1	[U-95% 13C; U-95% 15N]		1.0 ~ 1.5 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl protons	external	indirect	0.2514495
¹H	TSP	methyl protons	external	direct	0.0
¹⁵N	TSP	methyl protons	null	indirect	0.1013291

Referencing offset: -0.44 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl protons	external	indirect	0.2514495
¹H	TSP	methyl protons	external	direct	0.0
¹⁵N	TSP	methyl protons	null	indirect	0.1013291

Referencing offset: -0.44 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl protons	external	indirect	0.2514495
¹H	TSP	methyl protons	external	direct	0.0
¹⁵N	TSP	methyl protons	null	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl protons	external	indirect	0.2514495
¹H	TSP	methyl protons	external	direct	0.0
¹⁵N	TSP	methyl protons	null	indirect	0.1013291

Referencing offset: -0.43 ppm, Outliers: 1 Detail

Release date

2001-01-16

Citation

1H, 13C and 15N chemical shift assignment of the honeybee pheromone carrier protein ASP1
Birlirakis, N., Briand, L., Pernollet, J., Guittet, E.
J. Biomol. NMR (2001), 20, 183-184, PubMed 11495251 , DOI: , Abstract

Related entities 1. Antennal Specific Protein 1, : 1 : 13 : 4 : 2 : 53 entities Detail

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4940_3.str
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)
1:20:CYS:SG	1:51:CYS:SG	oxidized, CA 58.09, CB 38.67 ppm	oxidized, CA 59.65, CB 36.92 ppm	n/a
1:47:CYS:SG	1:107:CYS:SG	oxidized, CA 54.02, CB 36.31 ppm	oxidized, CA 60.04, CB 40.1 ppm	n/a
1:89:CYS:SG	1:98:CYS:SG	oxidized, CA 53.61, CB 40.52 ppm	oxidized, CA 59.79, CB 41.41 ppm	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr4940_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1175		96.6 (chain: 1, length: 119)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 119, Sequence coverage: 96.6%
- Total number of assignments
  - ¹H chemical shifts: 688
  - ¹³C chemical shifts: 386
  - ¹⁵N chemical shifts: 101
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	689	562	81.6
¹³C chemical shifts	521	386	74.1
¹⁵N chemical shifts	128	101	78.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	236	221	93.6
¹³C chemical shifts	238	230	96.6
¹⁵N chemical shifts	112	101	90.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	453	341	75.3
¹³C chemical shifts	283	156	55.1
¹⁵N chemical shifts	16	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	71	63	88.7
¹³C chemical shifts	71	44	62.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	41	8	19.5
¹³C chemical shifts	39	0	0.0
¹⁵N chemical shifts	2	0	0.0

Keywords Apis mellifera L., Insect, Olfaction, Pheromone-binding protein.

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Found 1 Document (1.284 seconds)

BMRB: 4940

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Antennal Specific Protein 1, : 1 : 13 : 4 : 2 : 53 entities Detail

Experiments performed 2 experiments Detail

Instrument

Sample #1

Sample #2

Sample #3

Instrument

Sample #1

Sample #2

Sample #3

Chemical shift validation 3 contents Detail