BMRBj - BMREntryMaster

Found 1 Document (0.862 seconds)

BMRB: 17899

2MU3

1H, 13C and 15N NMR assignments of the aciniform spidroin (AcSp1) repetitive domain of Argiope trifasciata wrapping silk

Authors

Xu, L., Tremblay, M., Meng, Q., Liu, X., Rainey, J.K.

Assembly

MS1

Entity

1. MS1 (polymer, Thiol state: not present), 199 monomers, 18974.38 Da Detail

AGPQGGFGAT GGASAGLISR VANALANTST LRTVLRTGVS QQIASSVVQR AAQSLASTLG VDGNNLARFA VQAVSRLPAG SDTSAYAQAF SSALFNAGVL NASNIDTLGS RVLSALLNGV SSAAQGLGIN VDSGSVQSDI SSSSSFLSTS SSSASYSQAS ASSTSGAGYT GPSGPSTGPS GYPGPLGGGA PFGQSGFGG

Formula weight

18974.38 Da

Source organism

Argiope trifasciata

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 99.5 %, Completeness: 91.2 %, Completeness (bb): 98.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.2 % (1788 of 1960)	90.7 % (895 of 987)	90.7 % (691 of 762)	95.7 % (202 of 211)
Backbone	98.5 % (1160 of 1178)	97.6 % (411 of 421)	99.1 % (561 of 566)	98.4 % (188 of 191)
Sidechain	83.6 % (794 of 950)	85.5 % (484 of 566)	81.3 % (296 of 364)	70.0 % (14 of 20)
Aromatic	12.7 % (13 of 102)	19.6 % (10 of 51)	5.9 % (3 of 51)
Methyl	96.4 % (214 of 222)	98.2 % (109 of 111)	94.6 % (105 of 111)

1. W1

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.150 K, pH 5.020

#	Name	Isotope labeling	Concentration
1	W1	[U-13C; U-15N]	0.76 (±5.0E-5) mM
2	Acetate Buffer	natural abundance	20 mM
3	NaN3	natural abundance	1 mM
4	DSS	natural abundance	1 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: -0.13 ppm, Outliers: 1 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: -0.13 ppm, Outliers: 1 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: 0.01 ppm, Outliers: 3 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: -0.21 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MU3, Strand ID: A Detail

Release date

2011-10-24

Citation

1H, 13C and 15N NMR assignments of the aciniform spidroin (AcSp1) repetitive domain of Argiope trifasciata wrapping silk
Xu, L., Tremblay, M., Meng, Q., Liu, X., Rainey, J.K.
Biomol. NMR Assign. (2012), 6, 147-151, PubMed 21989955 , DOI 10.1007/s12104-011-9344-z , Abstract

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC/HMQC