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BMRB: 6313

1GM0

1H,13C,and 15N NMR assignments of the Bombyx mori Pheromone-binding Protein fragment BmPBP(1-128) at pH 6.5.

Authors

Damberger, F., Michel, E., Wuthrich, K.

Assembly

Pheromone-binding protein

Entity

1. Pheromone-binding protein (polymer, Thiol state: all disulfide bound), 128 monomers, 14472.35 Da Detail

SQEVMKNLSL NFGKALDECK KEMTLTDAIN EDFYNFWKEG YEIKNRETGC AIMCLSTKLN MLDPEGNLHH GNAMEFAKKH GADETMAQQL IDIVHGCEKS TPANDDKCIW TLGVATCFKA EIHKLNWA

Formula weight

14472.35 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS19:SG	1:CYS54:SG
2	disulfide	sing	1:CYS50:SG	1:CYS108:SG
3	disulfide	sing	1:CYS97:SG	1:CYS117:SG

Source organism

Bombyx mori

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.9 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	96.9 % (1444 of 1490)	97.8 % (757 of 774)	95.6 % (549 of 574)	97.2 % (138 of 142)
Backbone	98.3 % (751 of 764)	98.1 % (257 of 262)	98.9 % (372 of 376)	96.8 % (122 of 126)
Sidechain	94.9 % (803 of 846)	96.7 % (495 of 512)	91.8 % (292 of 318)	100.0 % (16 of 16)
Aromatic	88.5 % (108 of 122)	100.0 % (61 of 61)	75.9 % (44 of 58)	100.0 % (3 of 3)
Methyl	93.4 % (114 of 122)	93.4 % (57 of 61)	93.4 % (57 of 61)

1. Bombyx mori Pheromone-binding protein

SQEVMKNLSL NFGKALDECK KEMTLTDAIN EDFYNFWKEG YEIKNRETGC AIMCLSTKLN MLDPEGNLHH GNAMEFAKKH GADETMAQQL IDIVHGCEKS TPANDDKCIW TLGVATCFKA EIHKLNWA

Show sample condition

Sample

Temperature 293 (±0.3) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Concentration
1	Bombyx mori Pheromone-binding protein	[U-99% 13C; U-98% 15N]	1.1 mM
2	potassium phosphate buffer		50 mM
3	H2O		95 %
4	D2O		5 %
5	NaN3		0.2 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.18 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.18 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.13 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.09 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1LS8, Strand ID: A Detail

Release date

2005-02-07

Citation 1

Assignments for the Bombyx mori pheromone-binding protein fragment BmPBP(1-128) at pH 6.5
Michel, E., Damberger, F.F., Chen, A.M., Ishida, Y., Leal, W.S., Wuthrich, K.
J. Biomol. NMR (2005), 31, 65-65, PubMed 15692741 , DOI 10.1007/s10858-004-5981-1 , Abstract

Show more 3 citaions

Citation 2

Protein NMR structure determination with automated NOE-identification in the NOESY spectra using the new software ATNOS
Herrmann, T., Guntert, P., Wuthrich, K.
J. Biomol. NMR (2002), 24, 171-189, PubMed 12522306 , Abstract

Citation 3

Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA
Herrmann, T., Guntert, P., Wuthrich, K.
J. Mol. Biol. (2002), 319, 209-227, PubMed 12051947 , Abstract

Citation 4

Torsion angle dynamics for NMR structure calculation with the new program DYANA
Guntert, P., Mumenthaler, C., Wuthrich, K.
J. Mol. Biol. (1997), 273, 283-298, PubMed 9367762 , DOI 10.1006/jmbi.1997.1284 , Abstract

Hide non-primary 3 citaions

Related entities 1. Pheromone-binding protein, : 1 : 7 : 36 entities Detail

Experiments performed 11 experiments Detail

1 HNCA