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BMRB: 18327

2M0Y

Solution structure of the atypical SH3 domain of DOCK180

Authors

Liu, X.

Assembly

atypical SH3 domain of DOCK180

Entity

1. atypical SH3 domain of DOCK180 (polymer, Thiol state: not present), 74 monomers, 8645.725 Da Detail

MTRWVPTKRE EKYGVAFYNY DARGADELSL QIGDTVHILE TYEGWYRGYT LRKKSKKGIF PASYIHLKEA IVEG

Formula weight

8645.725 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 85.1 %, Completeness: 63.3 %, Completeness (bb): 69.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	63.3 % (569 of 899)	69.7 % (326 of 468)	51.8 % (184 of 355)	77.6 % (59 of 76)
Backbone	69.3 % (305 of 440)	83.7 % (128 of 153)	54.9 % (118 of 215)	81.9 % (59 of 72)
Sidechain	60.3 % (317 of 526)	62.9 % (198 of 315)	57.5 % (119 of 207)	0.0 % (0 of 4)
Aromatic	0.0 % (0 of 108)	0.0 % (0 of 54)	0.0 % (0 of 52)	0.0 % (0 of 2)
Methyl	89.5 % (68 of 76)	89.5 % (34 of 38)	89.5 % (34 of 38)

1. SH3

MTRWVPTKRE EKYGVAFYNY DARGADELSL QIGDTVHILE TYEGWYRGYT LRKKSKKGIF PASYIHLKEA IVEG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	SH3	[U-100% 15N]	0.4 mM
2	PBS	natural abundance	50 mM
3	DTT	natural abundance	1 mM
4	EDTA	natural abundance	1 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	SH3	[U-100% 13C; U-100% 15N]	0.4 mM
8	PBS	natural abundance	50 mM
9	DTT	natural abundance	1 mM
10	EDTA	natural abundance	1 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	SH3	[U-100% 13C; U-100% 15N]	0.4 mM
14	PBS	natural abundance	50 mM
15	DTT	[U-100% 2H]	1 mM
16	EDTA	natural abundance	1 mM
17	D2O	natural abundance	100 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
18	SH3	natural abundance	0.4 mM
19	PBS	natural abundance	50 mM
20	DTT	natural abundance	1 mM
21	EDTA	natural abundance	1 mM
22	H2O	natural abundance	90 %
23	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: 0.18 ppm, Outliers: 6 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: 0.18 ppm, Outliers: 6 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: 1 Detail

Release date

2013-01-02

Citation

Solution structure of the SH3 domain of DOCK180
Liu, X., Li, F., Pan, Z., Wang, W., Wen, W.
Proteins (2013), 81, 906-910, PubMed 23239367 , DOI 10.1002/prot.24236 , Abstract

Related entities 1. atypical SH3 domain of DOCK180, : 1 : 5 : 113 entities Detail

Interaction partners 1. atypical SH3 domain of DOCK180, : 11 interactors Detail

More details for 11 interactors identified by 3 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC