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BMRB: 15256

2JPO

Antheraea polyphemus pheromone-binding protein 1: structure and assignments at pH 4.5.

Authors

Damberger, F.F., Wuthrich, K., Leal, W.S., Ishida, Y.

Assembly

ApolPBP

Entity

1. ApolPBP (polymer, Thiol state: all disulfide bound), 142 monomers, 15782.93 Da Detail

SPEIMKNLSN NFGKAMDQCK DELSLPDSVV ADLYNFWKDD YVMTDRLAGC AINCLATKLD VVDPDGNLHH GNAKDFAMKH GADETMAQQL VDIIHGCEKS APPNDDKCMK TIDVAMCFKK EIHKLNWVPN MDLVIGEVLA EV

Formula weight

15782.93 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

Antheraea polyphemus

Exptl. method

solution NMR

Refine. method

TORSION ANGLE DYNAMICS, SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.1 %, Completeness (bb): 99.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	98.1 % (1588 of 1618)	97.7 % (819 of 838)	98.6 % (620 of 629)	98.7 % (149 of 151)
Backbone	99.2 % (833 of 840)	98.9 % (282 of 285)	99.3 % (416 of 419)	99.3 % (135 of 136)
Sidechain	97.5 % (890 of 913)	97.1 % (537 of 553)	98.3 % (339 of 345)	93.3 % (14 of 15)
Aromatic	88.0 % (88 of 100)	88.0 % (44 of 50)	89.6 % (43 of 48)	50.0 % (1 of 2)
Methyl	97.4 % (148 of 152)	97.4 % (74 of 76)	97.4 % (74 of 76)

1. ApolPBP singlechain

SPEIMKNLSN NFGKAMDQCK DELSLPDSVV ADLYNFWKDD YVMTDRLAGC AINCLATKLD VVDPDGNLHH GNAKDFAMKH GADETMAQQL VDIIHGCEKS APPNDDKCMK TIDVAMCFKK EIHKLNWVPN MDLVIGEVLA EV

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.2) K, pH 4.50 (±0.05)

#	Name	Isotope labeling	Concentration
1	entity	[U-99% 13C; U-99% 15N]	0.9 mM
2	H2O		93 %
3	D2O		7 %
4	potassium phosphate		50 mM
5	sodium azide		2 mM

LACS Plot; CA

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

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.08 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.36 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2007-10-28

Citation

Structural basis of ligand binding and release in insect pheromone-binding proteins: NMR structure of Antheraea polyphemus PBP1 at pH 4.5
Damberger, F.F., Ishida, Y., Leal, W.W.S., Wuthrich, K.
J. Mol. Biol. (2007), 373, 811-819, PubMed 17884092 , DOI 10.1016/j.jmb.2007.07.078 , Abstract

Related entities 1. ApolPBP, : 1 : 3 : 45 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC