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BMRB: 11018

2RN8

NMR structure note: murine Itk SH3 domain

Authors

Severin, A.J.

Assembly

Itk SH3

Entity

1. Itk SH3 (polymer, Thiol state: all free), 64 monomers, 7463.988 × 20 Da Detail

GSPEETLVIA LYDYQTNDPQ ELALRCDEEY YLLDSSEIHW WRVQDKNGHE GYAPSSYLVE KSPN

Total weight

149279.75 Da

Max. entity weight

7463.988 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

Simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.7 %, Completeness (bb): 97.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.7 % (648 of 747)	82.5 % (320 of 388)	89.7 % (261 of 291)	98.5 % (67 of 68)
Backbone	97.3 % (366 of 376)	97.6 % (124 of 127)	96.8 % (183 of 189)	98.3 % (59 of 60)
Sidechain	79.4 % (343 of 432)	75.1 % (196 of 261)	85.3 % (139 of 163)	100.0 % (8 of 8)
Aromatic	45.0 % (36 of 80)	50.0 % (20 of 40)	36.8 % (14 of 38)	100.0 % (2 of 2)
Methyl	100.0 % (58 of 58)	100.0 % (29 of 29)	100.0 % (29 of 29)

1. SH3 domain

GSPEETLVIA LYDYQTNDPQ ELALRCDEEY YLLDSSEIHW WRVQDKNGHE GYAPSSYLVE KSPN

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50 mM KH2PO4, 75 mM NaCl, 2 mM dithiothreitol (DTT), 5% D2O and 0.02% (w/v) NaN3

#	Name	Isotope labeling	Concentration
1	Itk Sh3	[U-100% 13C; U-100% 15N]	3.4 mM
2	KH2PO4	natural abundance	50 mM
3	NaCl	natural abundance	75 mM
4	dithiothreitol (DTT)	natural abundance	2 mM
5	NaN3	natural abundance	0.02 w/v
6	H2O		95 %
7	D2O		5 %

LACS Plot; CA

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

Referencing offset: 2.36 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 2.36 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.08 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 3.14 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2RN8, Strand ID: A Detail

Release date

2008-01-08

Citation

Murine Itk SH3 domain
Severin, A.J., Fulton, D.B., Andreotti, A.H.
J. Biomol. NMR (2008), 40, 285-290, PubMed 18320328 , DOI 10.1007/s10858-008-9231-9 , Abstract

Related entities 1. Itk SH3, : 1 : 1 : 6 : 294 entities Detail

Interaction partners 1. Itk SH3, : 7 interactors Detail

More details for 7 interactors identified by 4 citations

Experiments performed 19 experiments Detail

1 15N 1H HSQC