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1H, 13C, and 15N Chemical shift assignments for the third Immunoglobulin domain from the neural cell adhesion molecule, N-CAM
Authors
Atkins, A.R., Chung, J., Deechongkit, S., Little, E.B., Edelman, G.M., Wright, P.E., Cunningham, B.A., Dyson, H.J.
Assembly
NEURAL CELL ADHESION MOLECULE
Entity
1. NEURAL CELL ADHESION MOLECULE (polymer, Thiol state: all disulfide bound), 107 monomers, 11838.99 Da Detail

GKDIQVIVNV PPSVRARQST MNATANLSQS VTLACDADGF PEPTMTWTKD GEPIEQEDNE EKYSFNYDGS ELIIKKVDKS DEAEYICIAE NKAGEQDATI HLKVFAK


Formula weight
11838.99 Da
Entity Connection
disulfide 1 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing0:CYS35:SG1:CYS87:SG

Source organism
Gallus gallus
Exptl. method
NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 99.1 %, Completeness: 86.1 %, Completeness (bb): 81.3 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All86.1 % (1044 of 1212)95.2 % (600 of 630)71.6 % (335 of 468)95.6 % (109 of 114)
Backbone81.3 % (514 of 632)93.9 % (201 of 214)68.4 % (216 of 316)95.1 % (97 of 102)
Sidechain92.4 % (630 of 682)95.9 % (399 of 416)86.2 % (219 of 254)100.0 % (12 of 12)
Aromatic41.4 % (29 of 70)74.3 % (26 of 35) 5.9 % (2 of 34)100.0 % (1 of 1)
Methyl100.0 % (110 of 110)100.0 % (55 of 55)100.0 % (55 of 55)

1. Third Immunoglobulin domain of the Neural cell adhesion molecule

GKDIQVIVNV PPSVRARQST MNATANLSQS VTLACDADGF PEPTMTWTKD GEPIEQEDNE EKYSFNYDGS ELIIKKVDKS DEAEYICIAE NKAGEQDATI HLKVFAK

Sample

Pressure 1 atm, Temperature 298 (±1) K


#NameIsotope labelingTypeConcentration
1Third Immunoglobulin domain of the Neural cell adhesion molecule[U-15N; U-13C]1.0 mM

LACS Plot; CA
Referencing offset: -0.12 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.12 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: -0.08 ppm, Outliers: 2 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 1IE5, Strand ID: A Detail


Release date
2001-11-13
Citation 1
Solution structure of the third immunoglobulin domain of the neural cell adhesion molecule N-CAM: can solution studies define the mechanism of homophilic binding?
Atkins, A.R., Chung, J., Deechongkit, S., Little, E.B., Edelman, G.M., Wright, P.E., Cunningham, B.A., Dyson, H.J.
J. Mol. Biol. (2001), 311, 161-172, PubMed 11469865 , DOI 10.1006/jmbi.2001.4861 ,
Citation 2
Torsion angle dynamics for NMR structure calculation with the new program DYANA
Guntert, P., Mumenthaler, C., Wuthrich, K.
J. Mol. Biol. (1997), 273, 283-298, PubMed 9367762 , DOI 10.1006/jmbi.1997.1284 ,
Citation 3
SANE (Structure Assisted NOE Evaluation): an automated model-based approach for NOE assignment
Duggan, B.M., Legge, G.B., Dyson, H.J., Wright, P.E.
J. Biomol. NMR (2001), 19, 321-329, PubMed 11370778 , DOI: ,
Citation 4
NMRView: A computer program for the visualization and analysis of NMR data
Johnson, B.A., Blevins, R.A.
J. Biomol. NMR (1994), 4, 603-614
Citation 5
NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 ,
Related entities 1. NEURAL CELL ADHESION MOLECULE, : 1 : 1 : 459 entities Detail
Interaction partners 1. NEURAL CELL ADHESION MOLECULE, : 1 interactors Detail
Experiments performed 5 experiments Detail
nullKeywords Intermediate Immunoglobulin fold