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BMRB: 19783

2MKL

Solution structure of the fourth constant immunoglobulin domain of nurse shark IgNAR

Authors

Hennig, J., Sattler, M.

Assembly

fourth constant immunoglobulin domain of nurse shark IgNAR

Entity

1. fourth constant immunoglobulin domain of nurse shark IgNAR (polymer), 105 monomers, 11820.33 Da Detail

MGRQTDISVS LLKPPFEEIW TQQTATIVCE IVYSDLENIK VFWQVNGVER KKGVETQNPE WSGSKSTIVS KLKVMASEWD SGTEYVCLVE DSELPTPVKA SIRKA

Formula weight

11820.33 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS29:SG	1:CYS87:SG

Source organism

Ginglymostoma cirratum

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.2 %, Completeness: 86.7 %, Completeness (bb): 89.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.7 % (1072 of 1236)	89.3 % (573 of 642)	83.0 % (400 of 482)	88.4 % (99 of 112)
Backbone	89.0 % (552 of 620)	90.5 % (190 of 210)	87.4 % (271 of 310)	91.0 % (91 of 100)
Sidechain	85.9 % (615 of 716)	88.7 % (383 of 432)	82.4 % (224 of 272)	66.7 % (8 of 12)
Aromatic	41.7 % (35 of 84)	71.4 % (30 of 42)	7.9 % (3 of 38)	50.0 % (2 of 4)
Methyl	99.2 % (123 of 124)	100.0 % (62 of 62)	98.4 % (61 of 62)

1. entity

MGRQTDISVS LLKPPFEEIW TQQTATIVCE IVYSDLENIK VFWQVNGVER KKGVETQNPE WSGSKSTIVS KLKVMASEWD SGTEYVCLVE DSELPTPVKA SIRKA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Fourth counstant immunoglobulin domain of IgNAR	[U-100% 13C; U-100% 15N]	300.0 ~ 500.0 uM
2	sodium chloride	natural abundance	137 mM
3	potassium chloride	natural abundance	2.7 mM
4	sodium phosphate	natural abundance	10 mM
5	potassium phosphate	natural abundance	2 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

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: -0.29 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: -0.29 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: -0.06 ppm, Outliers: 5 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: 0.61 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MKL, Strand ID: C Detail

Release date

2014-06-29

Citation

The structural analysis of shark IgNAR antibodies reveals evolutionary principles of immunoglobulins
Feige, M.J., Griwert, M.A., Marcinowski, M., Hennig, J., Behnke, J., Auslinder, D., Herold, E.M., Peschek, J., Castro, C.D., Flajnik, M.F., Hendershot, L.M., Sattler, M., Groll, M., Buchner, J.
Proc. Natl. Acad. Sci. U. S. A. (2014), 111, 8155-8160, PubMed 24830426 , DOI 10.1073/pnas.1321502111 , Abstract

Related entities 1. fourth constant immunoglobulin domain of nurse shark IgNAR, : 1 : 228 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC