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BMRB: 19579

2MFZ

NMR structure of C-terminal domain from A. ventricosus minor ampullate spidroin (MiSp)

Authors

Otikovs, M., Jaudzems, K., Andersson, M., Chen, G., Landreh, M., Nordling, K., Kronqvist, N., Westermark, P., Jornvall, H., Knight, S., Ridderstrale, Y., Holm, L., Meng, Q., Chesler, M., Johansson, J., Rising, A.

Assembly

C-terminal domain from A. ventricosus minor ampullate spidroin (MiSp)

Entity

1. C-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) (polymer, Thiol state: not present), 125 monomers, 11763.77 × 2 Da Detail

GSGNSVTSGG YGYGTSAAAG AGVAAGSYAG AVNRLSSAEA ASRVSSNIAA IASGGASALP SVISNIYSGV VASGVSSNEA LIQALLELLS ALVHVLSSAS IGNVSSVGVD STLNVVQDSV GQYVG

Total weight

23527.54 Da

Max. entity weight

11763.77 Da

Source organism

Araneus ventricosus

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.4 %, Completeness: 95.1 %, Completeness (bb): 94.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.1 % (1144 of 1203)	94.1 % (558 of 593)	96.0 % (457 of 476)	96.3 % (129 of 134)
Backbone	94.7 % (708 of 748)	92.9 % (248 of 267)	95.2 % (340 of 357)	96.8 % (120 of 124)
Sidechain	95.9 % (539 of 562)	95.1 % (310 of 326)	97.3 % (220 of 226)	90.0 % (9 of 10)
Aromatic	100.0 % (44 of 44)	100.0 % (22 of 22)	100.0 % (22 of 22)
Methyl	97.8 % (176 of 180)	97.8 % (88 of 90)	97.8 % (88 of 90)

1. MiSp-CT

GSGNSVTSGG YGYGTSAAAG AGVAAGSYAG AVNRLSSAEA ASRVSSNIAA IASGGASALP SVISNIYSGV VASGVSSNEA LIQALLELLS ALVHVLSSAS IGNVSSVGVD STLNVVQDSV GQYVG

Show sample condition

Sample

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	Minor ampullate spidroin CT	[U-99% 13C; U-99% 15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	20 mM
4	sodium azide	natural abundance	0.03 %
5	D2O	[U-100% 2H]	8 %
6	H2O	natural abundance	92 %

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: -0.09 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: -0.09 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: 0.04 ppm, Outliers: 1 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: -0.02 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2014-08-24

Citation

Carbonic anhydrase generates CO2 and H+ that drive spider silk formation via opposite effects on the terminal domains
Otikovs, M., Jaudzems, K., Andersson, M., Chen, G., Landreh, M., Nordling, K., Kronqvist, N., Westermark, P., Jornvall, H., Knight, S., Ridderstrale, Y., Holm, L., Meng, Q., Chesler, M., Johansson, J., Rising, A.
PLoS Biol. (2014), 12, e1001921-e1001921, PubMed 25093327 , DOI 10.1371/journal.pbio.1001921 , Abstract