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BMRB: 25398

2MX9

NMR structure of N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 5.5

Authors

Otikovs, M., Jaudzems, K., Chen, G., Nordling, K., Rising, A., Johansson, J.

Assembly

N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 5.5

Entity

1. N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 5.5 (polymer, Thiol state: all disulfide bound), 133 monomers, 14060.78 × 2 Da Detail

GSGNSQPIWT NPNAAMTMTN NLVQCASRSG VLTADQMDDM GMMADSVNSQ MQKMGPNPPQ HRLRAMNTAM AAEVAEVVAT SPPQSYSAVL NTIGACLRES MMQATGSVDN AFTNEVMQLV KMLSADSANE VST

Total weight

28121.56 Da

Max. entity weight

14060.78 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS25:SG	1:CYS96:SG

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: 99.2 %, Completeness: 93.9 %, Completeness (bb): 91.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.9 % (1327 of 1413)	96.7 % (704 of 728)	89.4 % (480 of 537)	96.6 % (143 of 148)
Backbone	91.3 % (716 of 784)	96.2 % (256 of 266)	86.0 % (337 of 392)	97.6 % (123 of 126)
Sidechain	97.4 % (735 of 755)	97.0 % (448 of 462)	98.5 % (267 of 271)	90.9 % (20 of 22)
Aromatic	97.1 % (33 of 34)	100.0 % (17 of 17)	100.0 % (16 of 16)	0.0 % (0 of 1)
Methyl	97.8 % (131 of 134)	97.0 % (65 of 67)	98.5 % (66 of 67)

1. entity

GSGNSQPIWT NPNAAMTMTN NLVQCASRSG VLTADQMDDM GMMADSVNSQ MQKMGPNPPQ HRLRAMNTAM AAEVAEVVAT SPPQSYSAVL NTIGACLRES MMQATGSVDN AFTNEVMQLV KMLSADSANE VST

Show sample condition

Sample #1

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 295 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	entity	[U-99% 13C; U-99% 15N]	0.5 mM
2	sodium chloride	natural abundance	20 mM
3	sodium azide	natural abundance	0.03 %
4	sodium acetate	[U-99% 2H]	20 mM
5	protease inhibitor cocktail	natural abundance	0.01 tablet/100mL

Sample #2

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 295 K, pH 5.5

#	Name	Isotope labeling	Concentration
6	entity	[U-99% 13C; U-99% 15N]	11.3 mg/mL
7	entity	natural abundance	11.3 mg/mL
8	sodium chloride	natural abundance	20 mM
9	sodium azide	natural abundance	0.03 %
10	sodium acetate	[U-2H]	20 mM
11	protease inhibitor cocktail	natural abundance	0.01 tablet/100mL

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.8 ppm	internal	indirect	0.2514495
¹H	water	protons	4.8 ppm	internal	indirect	1.0
¹⁵N	water	protons	4.8 ppm	internal	indirect	0.1013291

Referencing offset: -0.39 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.8 ppm	internal	indirect	0.2514495
¹H	water	protons	4.8 ppm	internal	indirect	1.0
¹⁵N	water	protons	4.8 ppm	internal	indirect	0.1013291

Referencing offset: -0.39 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.8 ppm	internal	indirect	0.2514495
¹H	water	protons	4.8 ppm	internal	indirect	1.0
¹⁵N	water	protons	4.8 ppm	internal	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.8 ppm	internal	indirect	0.2514495
¹H	water	protons	4.8 ppm	internal	indirect	1.0
¹⁵N	water	protons	4.8 ppm	internal	indirect	0.1013291

Referencing offset: 0.34 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MX9, Strand ID: A, B Detail

Release date

2015-08-16