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BMRB: 18811

2M0M

Structural Characterization of Minor Ampullate Spidroin Domains and their Distinct Roles in Fibroin Solubility and Fiber Formation

Authors

Yang, D., Gao, Z., Lin, Z., Huang, W., Lai, C., Fan, J.

Assembly

Spidroin

Entity

1. Spidroin (polymer, Thiol state: not present), 107 monomers, 10502.67 × 2 Da Detail

VGTTVASTTS RLSTAEASSR ISTAASTLVS GGYLNTAALP SVIADLFAQV GASSPGVSDS EVLIQVLLEI VSSLIHILSS SSVGQVDFSS VGSSAAAVGQ SMQVVMG

Total weight

21005.34 Da

Max. entity weight

10502.67 Da

Source organism

Trichonephila antipodiana

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.9 %, Completeness (bb): 84.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.9 % (949 of 1080)	95.3 % (510 of 535)	75.6 % (328 of 434)	100.0 % (111 of 111)
Backbone	84.6 % (540 of 638)	98.6 % (218 of 221)	69.6 % (217 of 312)	100.0 % (105 of 105)
Sidechain	93.3 % (504 of 540)	93.0 % (292 of 314)	93.6 % (206 of 220)	100.0 % (6 of 6)
Aromatic	50.0 % (16 of 32)	50.0 % (8 of 16)	50.0 % (8 of 16)
Methyl	96.4 % (160 of 166)	96.4 % (80 of 83)	96.4 % (80 of 83)

1. Spidroin

VGTTVASTTS RLSTAEASSR ISTAASTLVS GGYLNTAALP SVIADLFAQV GASSPGVSDS EVLIQVLLEI VSSLIHILSS SSVGQVDFSS VGSSAAAVGQ SMQVVMG

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 307 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	CTD	[U-100% 13C; U-100% 15N]	1 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium azide	natural abundance	0.01 %
4	EDTA	natural abundance	5 mM
5	sodium chloride	natural abundance	50 mM
6	H2O	natural abundance	93 %
7	D2O	natural abundance	7 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵C	DSS	methyl carbon	external	direct	0.04
¹H	DSS	methyl protons	external	direct	1.0
¹³N	DSS	methyl carbon	external	indirect	0.1

Referencing offset: -0.05 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵C	DSS	methyl carbon	external	direct	0.04
¹H	DSS	methyl protons	external	direct	1.0
¹³N	DSS	methyl carbon	external	indirect	0.1

Referencing offset: -0.05 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵C	DSS	methyl carbon	external	direct	0.04
¹H	DSS	methyl protons	external	direct	1.0
¹³N	DSS	methyl carbon	external	indirect	0.1

Referencing offset: -0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2M0M, Strand ID: A, B Detail

Release date

2013-02-20

Citation

Structural characterization of minor ampullate spidroin domains and their distinct roles in fibroin solubility and fiber formation
Gao, Z., Lin, Z., Huang, W., Lai, C., Fan, J., Yang, D.
PLoS One (2013), 8, e56142-e56142, PubMed 23418525 , DOI 10.1371/journal.pone.0056142 , Abstract

Related entities 1. Spidroin, : 1 : 20 entities Detail

Experiments performed 6 experiments Detail

1 2D 1H-15N HSQC