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NMR structure of human I-type lectin domain
Authors
Proepster, J.M., Yang, F., Rabbani, S., Ernst, B., Allain, F.H.-T., Schubert, M.
Assembly
human Siglec-8
Entity
1. human Siglec-8 (polymer, Thiol state: all disulfide bound), 145 monomers, 16645.29 Da Detail

MEGDRQYGDG YLLQVQELVT VQEGLSVHVP CSFSYPQDGW TDSDPVHGYW FRAGDRPYQD APVATNNPDR EVQAETQGRF QLLGDIWSND CSLSIRDARK RDKGSYFFRL ERGSMKWSYK SQLNYKTKQL SVFVTALTHG SLVPR


Formula weight
16645.29 Da
Entity Connection
disulfide 1 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS31:SG1:CYS91:SG

Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 94.7 %, Completeness (bb): 96.7 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All94.7 % (1612 of 1703)95.3 % (847 of 889)93.3 % (613 of 657)96.8 % (152 of 157)
Backbone96.7 % (828 of 856)96.3 % (284 of 295)97.2 % (411 of 423)96.4 % (133 of 138)
Sidechain93.2 % (913 of 980)94.8 % (563 of 594)90.2 % (331 of 367)100.0 % (19 of 19)
Aromatic81.5 % (150 of 184)95.7 % (88 of 92)65.9 % (58 of 88)100.0 % (4 of 4)
Methyl98.4 % (124 of 126)96.8 % (61 of 63)100.0 % (63 of 63)

1. Siglec-8

MEGDRQYGDG YLLQVQELVT VQEGLSVHVP CSFSYPQDGW TDSDPVHGYW FRAGDRPYQD APVATNNPDR EVQAETQGRF QLLGDIWSND CSLSIRDARK RDKGSYFFRL ERGSMKWSYK SQLNYKTKQL SVFVTALTHG SLVPR

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0


#NameIsotope labelingTypeConcentration
6Siglec-8[U-100% 13C; U-100% 15N]protein0.3 ~ 1.2 mM
7potassium phosphatenatural abundancebuffer20 mM
8sodium chloridenatural abundancesalt40 mM
9D2O[U-2H]solvent5 %
10H2Onatural abundancesolvent95 %

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: -0.09 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.73 ppm, Outliers: 6 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2N7A, Strand ID: A Detail


Release date
2016-07-04
Citation
Structural basis for sulfation-dependent self-glycan recognition by the human immune-inhibitory receptor Siglec-8
Proepster, J.M., Yang, F., Rabbani, S., Ernst, B., Allain, F.H.-T., Schubert, M.
Proc. Natl. Acad. Sci. U. S. A. (2016), 113, 4170-4179, PubMed 27357658 , DOI 10.1073/pnas.1602214113 ,
Entries sharing articles BMRB: 1 entries Detail
  BMRB: 25799 released on 2016-07-04
    Title NMR structure of human I-type lectin domain-glycan complex
Related entities 1. human Siglec-8, : 1 : 3 : 3 : 64 entities Detail
Interaction partners 1. human Siglec-8, : 1 interactors Detail
Experiments performed 15 experiments Detail
nullKeywords I-type lectin, SAF-2, Sialic acid-binding immunoglobulin-like lectin 8, Siglec8, carbohydrate-binding receptor