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BMRB: 19955

2MOX

solution structure of tandem SH3 domain of Sorbin and SH3 domain-containing protein 1

Authors

Zhao, D., Wang, C., Zhang, J., Wu, J., Shi, Y., Zhang, Z., Gong, Q.

Assembly

tandem SH3 domain of CAP

Entity

1. tandem SH3 domain of CAP (polymer, Thiol state: not present), 143 monomers, 16638.86 Da Detail

QHMSGSEMRP ARAKFDFKAQ TLKELPLQKG DIVYIYKQID QNWYEGEHHG RVGIFPRTYI ELLPPAEKAQ PKKLTPVQVL EYGEAIAKFN FNGDTQVEMS FRKGERITLL RQVDENWYEG RIPGTSRQGI FPITYVDVIK RPL

Formula weight

16638.86 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 87.9 %, Completeness (bb): 97.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.9 % (1553 of 1766)	90.2 % (842 of 933)	84.4 % (577 of 684)	89.9 % (134 of 149)
Backbone	97.6 % (818 of 838)	97.2 % (279 of 287)	97.6 % (408 of 418)	98.5 % (131 of 133)
Sidechain	81.5 % (864 of 1060)	87.2 % (563 of 646)	74.9 % (298 of 398)	18.8 % (3 of 16)
Aromatic	48.8 % (79 of 162)	82.7 % (67 of 81)	12.7 % (10 of 79)	100.0 % (2 of 2)
Methyl	90.3 % (130 of 144)	95.8 % (69 of 72)	84.7 % (61 of 72)

1. entity

QHMSGSEMRP ARAKFDFKAQ TLKELPLQKG DIVYIYKQID QNWYEGEHHG RVGIFPRTYI ELLPPAEKAQ PKKLTPVQVL EYGEAIAKFN FNGDTQVEMS FRKGERITLL RQVDENWYEG RIPGTSRQGI FPITYVDVIK RPL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	protein	[U-100% 15N]	0.5 mM
3	EDTA	natural abundance	1 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	sodium phosphate	natural abundance	50 mM
7	EDTA	natural abundance	1 mM
8	protein	[U-100% 13C; U-100% 15N]	0.5 mM
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Concentration
11	sodium phosphate	natural abundance	50 mM
12	EDTA	natural abundance	1 mM
13	protein	[U-100% 13C; U-100% 15N]	0.5 mM
14	H2O	natural abundance	90 %
15	D2O	natural abundance	10 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Concentration
16	sodium phosphate	[U-100% 15N]	50 mM
17	EDTA	natural abundance	1 mM
18	C12E5	natural abundance	4.5 %
19	protein	[U-100% 15N]	0.5 mM
20	H2O	natural abundance	90 %
21	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: 0.03 ppm, Outliers: 2 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: 0.03 ppm, Outliers: 2 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: 0.05 ppm, Outliers: 1 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: 0.59 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2014-05-26

Citation

Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
Zhao, D., Wang, X., Peng, J., Wang, C., Li, F., Sun, Q., Zhang, Y., Zhang, J., Cai, G., Zuo, X., Wu, J., Shi, Y., Zhang, Z., Gong, Q.
J. Struct. Biol. (2014), 187, 194-205, PubMed 24878663 , DOI 10.1016/j.jsb.2014.05.009 , Abstract

Related entities 1. tandem SH3 domain of CAP, : 1 : 2 : 174 entities Detail

Interaction partners 1. tandem SH3 domain of CAP, : 29 interactors Detail

More details for 29 interactors identified by 15 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC