Search

Solid-state MAS NMR structure of beta 1 domain of protein G (GB1)
Authors
Andreas, L.B., Jaudzems, K., Stanek, J., Lalli, D., Bertarello, A., Le Marchand, T., Cala-De Paepe, D., Kotelovica, S., Akopjana, I., Knott, B., Wegner, S., Engelke, F., Lesage, A., Emsley, L., Tars, K., Herrmann, T., Pintacuda, G.
Assembly
Immunoglobulin G-binding protein G
Entity
1. Immunoglobulin G-binding protein G (polymer, Thiol state: not present), 56 monomers, 6222.757 Da Detail

MQYKLILNGK TLKGETTTEA VDAATAEKVF KQYANDNGVD GEWTYDDATK TFTVTE


Formula weight
6222.757 Da
Source organism
Streptococcus dysgalactiae subsp. equisimilis
Exptl. method
NMR
Refine. method
torsion angle dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 91.4 %, Completeness (bb): 98.8 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All91.4 % (577 of 631)90.7 % (291 of 321)90.3 % (224 of 248)100.0 % (62 of 62)
Backbone98.8 % (332 of 336)97.4 % (113 of 116)99.4 % (163 of 164)100.0 % (56 of 56)
Sidechain85.3 % (296 of 347)86.8 % (178 of 205)82.4 % (112 of 136)100.0 % (6 of 6)
Aromatic21.4 % (12 of 56)21.4 % (6 of 28)18.5 % (5 of 27)100.0 % (1 of 1)
Methyl100.0 % (64 of 64)100.0 % (32 of 32)100.0 % (32 of 32)

1. Immunoglobulin G-binding protein G

MQYKLILNGK TLKGETTTEA VDAATAEKVF KQYANDNGVD GEWTYDDATK TFTVTE

Sample

Solvent system H20/MPD/IPA, Temperature 283 (±5) K, pH 5.6 (±0.1), Details 12.5 mM sodium phosphate, 45 % methyl-2,4-pentane diol, 22.5 % isopropyl alcohol, 800 mg/mL [U-99% 13C; U-99% 15N] B1 domain of Immunoglobulin G-Binding protein G, H20/MPD/IPA


#NameIsotope labelingTypeConcentration
1B1 domain of Immunoglobulin G-Binding protein G[U-99% 13C; U-99% 15N]800 (±300.0) mg/mL
2isopropyl alcoholnatural abundance22.5 (±5.0) %
3methyl-2,4-pentane diolnatural abundance45 (±5.0) %
4sodium phosphatenatural abundance12.5 (±5.0) mM

LACS Plot; CA
Referencing offset: 0.0 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: 0.0 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: -0.27 ppm, Outliers: 2 Detail
LACS Plot; CO
Referencing offset: 0.0 ppm, Outliers: 2 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 5JXV, Strand ID: A Detail


Release date
2016-08-07
Citation
Structure of fully protonated proteins by proton-detected magic-angle spinning NMR
Andreas, L.B., Jaudzems, K., Stanek, J., Lalli, D., Bertarello, A., Marchand, T.LE., Paepe, D.CD., Kotelovica, S., Akopjana, I., Knott, B., Wegner, S., Engelke, F., Lesage, A., Emsley, L., Tars, K., Herrmann, T., Pintacuda, G.
Proc. Natl. Acad. Sci. U. S. A. (2016), 113, 9187-9192, PubMed 27489348 , DOI 10.1073/pnas.1602248113 ,
Related entities 1. Immunoglobulin G-binding protein G, : 1 : 22 : 2 : 47 : 36 entities Detail
Interaction partners 1. Immunoglobulin G-binding protein G, : 1 interactors Detail
Experiments performed 10 experiments Detail
NMR combined restraints 4 contents Detail
Keywords Globular, alpha beta, immune system