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BMRB: 27683

6QJY

Euprosthenops australis major ampullate spidroin 1 N-terminal domain (NTD) mutant at pH7

Authors

Goretzki, B.BG., Heiby, J.JH., Hellmich, U.UAH., Neuweiler, H.HN.

Assembly

MaSp1 L6-NTD

Entity

1. MaSp1 L6-NTD (polymer, Thiol state: all free), 137 monomers, 14071.45 Da Detail

GSGNSHTTPW TNPGLAENFL NSFLQGLSSM PGFTASQLDD LSTIAQSLVQ SIQSLAAQGR TSPNKLQALN MAFASSLAEI AASEEGGGSL STKTSSIASA LSNAFLQTTG VVNQPFINEI TQLVSMFAQA GMNDVSA

Formula weight

14071.45 Da

Source organism

Euprosthenops australis

Exptl. method

solution NMR

Refine. method

TORSION ANGLE DYNAMICS ONFORMERS, NUMBER CALCULATED : NULL

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 88.0 %, Completeness (bb): 96.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.0 % (1295 of 1471)	87.4 % (655 of 749)	90.1 % (512 of 568)	83.1 % (128 of 154)
Backbone	96.3 % (782 of 812)	95.4 % (267 of 280)	97.0 % (388 of 400)	96.2 % (127 of 132)
Sidechain	81.0 % (636 of 785)	82.7 % (388 of 469)	84.0 % (247 of 294)	4.5 % (1 of 22)
Aromatic	20.9 % (18 of 86)	34.9 % (15 of 43)	4.8 % (2 of 42)	100.0 % (1 of 1)
Methyl	97.5 % (156 of 160)	97.5 % (78 of 80)	97.5 % (78 of 80)

1. MaSp1 L6-NTD

GSGNSHTTPW TNPGLAENFL NSFLQGLSSM PGFTASQLDD LSTIAQSLVQ SIQSLAAQGR TSPNKLQALN MAFASSLAEI AASEEGGGSL STKTSSIASA LSNAFLQTTG VVNQPFINEI TQLVSMFAQA GMNDVSA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	MaSp1 L6-NTD	[U-13C; U-15N]	300 uM
2	potassium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM

LACS Plot; CA

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

Referencing offset: -0.27 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.27 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.02 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: -0.4 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6QJY, Strand ID: A Detail

Release date

2018-11-05

Citation

Methionine in a protein hydrophobic core drives tight interactions required for assembly of spider silk
Heiby, J.C., Goretzki, B., Johnson, C.M., Hellmich, U.A., Neuweiler, H.
Nat. Commun. (2019), 10, 4378-4378, PubMed 31558722 , DOI 10.1038/s41467-019-12365-5 , Abstract

Related entities 1. MaSp1 L6-NTD, : 1 : 6 : 16 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC