BMRB: 5044

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

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	0:CYS35:SG	1: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

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	86.1 % (1044 of 1212)	95.2 % (600 of 630)	71.6 % (335 of 468)	95.6 % (109 of 114)
Backbone	81.3 % (514 of 632)	93.9 % (201 of 214)	68.4 % (216 of 316)	95.1 % (97 of 102)
Sidechain	92.4 % (630 of 682)	95.9 % (399 of 416)	86.2 % (219 of 254)	100.0 % (12 of 12)
Aromatic	41.4 % (29 of 70)	74.3 % (26 of 35)	5.9 % (2 of 34)	100.0 % (1 of 1)
Methyl	100.0 % (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

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Third Immunoglobulin domain of the Neural cell adhesion molecule	[U-15N; U-13C]		1.0 mM

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LACS Plot; CA

Referencing offset: -0.12 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.12 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.08 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 1IE5, Strand ID: A Detail

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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 , Abstract

Show more 4 citaions

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 , Abstract

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: , Abstract

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 , Abstract

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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