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BMRB: 18262

2LPJ

NMR structure of major ampullate spidroin 1 N-terminal domain at pH 7.2

Authors

Jaudzems, K., Nordling, K., Landreh, M., Rising, A., Askarieh, G., Knight, S., Johansson, J.

Assembly

Major ampullate spidroin 1

Entity

1. Major ampullate spidroin 1 (polymer, Thiol state: not present), 137 monomers, 14179.68 Da Detail

GSGNSHTTPW TNPGLAENFM NSFMQGLSSM PGFTASQLDD MSTIAQSMVQ SIQSLAAQGR TSPNKLQALN MAFASSMAEI AASEEGGGSL STKTSSIASA MSNAFLQTTG VVNQPFINEI TQLVSMFAQA GMNDVSA

Formula weight

14179.68 Da

Source organism

Euprosthenops australis

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 87.7 %, Completeness (bb): 81.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.7 % (1285 of 1465)	94.7 % (709 of 749)	77.2 % (434 of 562)	92.2 % (142 of 154)
Backbone	81.5 % (662 of 812)	94.3 % (264 of 280)	68.3 % (273 of 400)	94.7 % (125 of 132)
Sidechain	95.8 % (746 of 779)	94.9 % (445 of 469)	98.6 % (284 of 288)	77.3 % (17 of 22)
Aromatic	97.7 % (84 of 86)	97.7 % (42 of 43)	97.6 % (41 of 42)	100.0 % (1 of 1)
Methyl	100.0 % (136 of 136)	100.0 % (68 of 68)	100.0 % (68 of 68)

1. Major ampullate spidroin 1

GSGNSHTTPW TNPGLAENFM NSFMQGLSSM PGFTASQLDD MSTIAQSMVQ SIQSLAAQGR TSPNKLQALN MAFASSMAEI AASEEGGGSL STKTSSIASA MSNAFLQTTG VVNQPFINEI TQLVSMFAQA GMNDVSA

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.2 (±0.1)

#	Name	Isotope labeling	Concentration
1	Major_ampullate_spidroin_1	[U-99% 13C; U-99% 15N]	1.9 (±0.2) mM
2	sodium phosphate	natural abundance	20 (±2.0) mM
3	sodium chloride	natural abundance	300 (±10.0) mM
4	sodium azide	natural abundance	0.03 (±0.005) %
5	D2O	[U-100% 2H]	5 (±0.5) %
6	H2O	natural abundance	95 (±0.5) %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.77 ppm	internal	indirect	0.2514495
¹H	water	protons	4.77 ppm	internal	direct	1.0
¹⁵N	water	protons	4.77 ppm	internal	indirect	0.1013291

Referencing offset: -0.37 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.77 ppm	internal	indirect	0.2514495
¹H	water	protons	4.77 ppm	internal	direct	1.0
¹⁵N	water	protons	4.77 ppm	internal	indirect	0.1013291

Referencing offset: -0.37 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.77 ppm	internal	indirect	0.2514495
¹H	water	protons	4.77 ppm	internal	direct	1.0
¹⁵N	water	protons	4.77 ppm	internal	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2012-06-25

Citation

pH-dependent dimerization of spider silk N-terminal domain requires relocation of a wedged tryptophan side chain
Jaudzems, K., Askarieh, G., Landreh, M., Nordling, K., Hedhammar, M., Jornvall, H., Rising, A., Knight, S.D., Johansson, J.
J. Mol. Biol. (2012), 422, 477-487, PubMed 22706024 , DOI 10.1016/j.jmb.2012.06.004 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 18261 released on 2012-06-25
Title NMR structure of a monomeric mutant (A72R) of major ampullate spidroin 1 N-terminal domain

Related entities 1. Major ampullate spidroin 1, : 1 : 2 : 4 : 3 : 11 entities Detail

Experiments performed 6 experiments Detail

1 2D 1H-15N HSQC