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BMRB: 18261

2LPI

NMR structure of a monomeric mutant (A72R) of major ampullate spidroin 1 N-terminal domain

Authors

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

Assembly

A72R

Entity

1. A72R (polymer, Thiol state: not present), 137 monomers, 14264.78 Da Detail

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

Formula weight

14264.78 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: 94.2 %, Completeness (bb): 94.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.2 % (1387 of 1473)	93.8 % (708 of 755)	94.7 % (534 of 564)	94.2 % (145 of 154)
Backbone	94.2 % (765 of 812)	93.9 % (263 of 280)	93.5 % (374 of 400)	97.0 % (128 of 132)
Sidechain	94.5 % (744 of 787)	93.7 % (445 of 475)	97.2 % (282 of 290)	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	95.5 % (128 of 134)	95.5 % (64 of 67)	95.5 % (64 of 67)

1. A72R

GSGNSHTTPW TNPGLAENFM NSFMQGLSSM PGFTASQLDD MSTIAQSMVQ SIQSLAAQGR TSPNKLQALN MRFASSMAEI 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 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	A72R	[U-99% 13C; U-99% 15N]	1.4 (±0.2) mM
2	sodium phosphate	natural abundance	20 (±2.0) mM
3	sodium chloride	natural abundance	20 (±2.0) 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: -0.34 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: -0.34 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: 0.0 ppm, Outliers: 3 Detail

LACS Plot; CO

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: -0.49 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LPI, 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

Related entities 1. A72R, : 1 : 1 : 4 : 15 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC