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BMRB: 25397

2MX8

NMR structure of N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 7.2

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 7.2

Entity

1. N-terminal domain from A. ventricosus minor ampullate spidroin (MiSp) at pH 7.2 (polymer, Thiol state: all disulfide bound), 133 monomers, 14060.78 Da Detail

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

Formula 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: 97.0 %, Completeness: 94.1 %, Completeness (bb): 93.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.1 % (1329 of 1413)	93.4 % (680 of 728)	94.4 % (507 of 537)	95.9 % (142 of 148)
Backbone	93.9 % (736 of 784)	92.9 % (247 of 266)	93.6 % (367 of 392)	96.8 % (122 of 126)
Sidechain	94.8 % (716 of 755)	93.7 % (433 of 462)	97.0 % (263 of 271)	90.9 % (20 of 22)
Aromatic	100.0 % (34 of 34)	100.0 % (17 of 17)	100.0 % (16 of 16)	100.0 % (1 of 1)
Methyl	99.3 % (133 of 134)	98.5 % (66 of 67)	100.0 % (67 of 67)

1. entity

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

Show sample condition

Sample

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity	[U-99% 13C; U-99% 15N]	0.95 mM
2	sodium chloride	natural abundance	50 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium azide	natural abundance	0.03 %
5	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	4.77 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: -0.19 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: -0.19 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: 0.02 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: -0.27 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MX8, Strand ID: A Detail

Release date

2015-08-16