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BMRB: 18737

2LZ6

DISTINCT UBIQUITIN BINDING MODES EXHIBITED BY SH3 DOMAINS: M DETERMINANTS AND FUNCTIONAL IMPLICATIONS

Authors

Ortega-Roldan, J., Azuaga, A., Blackledge, M., Van Nuland, N.

Assembly

complex of ubiquitin and CD2-associated protein

Entity

1. UBIQUITIN (polymer, Thiol state: not present), 76 monomers, 8564.731 Da Detail

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

2. CD2-ASSOCIATED PROTEIN (polymer, Thiol state: not present), 63 monomers, 7082.800 Da Detail

AMGAKEYCRT LFPYTGTNED ELTFREGEII HLISKETGEA GWWKGELNGK EGVFPDNFAV QIS

Total weight

15647.531 Da

Max. entity weight

8564.731 Da

Source organism

Homo sapiens , Mus musculus

Exptl. method

solution NMR

Refine. method

SIMULATED ANNEALING, MOLECULAR DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.7 %, Completeness: 28.6 %, Completeness (bb): 64.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	28.6 % (287 of 1005)	18.0 % (154 of 857)	89.9 % (133 of 148)
Backbone	64.8 % (273 of 421)	48.8 % (140 of 287)	99.3 % (133 of 134)
Sidechain	2.6 % (15 of 584)	2.6 % (15 of 570)	0.0 % (0 of 14)
Aromatic	8.3 % (5 of 60)	8.6 % (5 of 58)	0.0 % (0 of 2)
Methyl	0.0 % (0 of 78)	0.0 % (0 of 78)

1. UBIQUITIN

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

2. CD2-ASSOCIATED PROTEIN

AMGAKEYCRT LFPYTGTNED ELTFREGEII HLISKETGEA GWWKGELNGK EGVFPDNFAV QIS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.2 mM [U-99% 15N] CD2AP SH3-A, 1 mM UBIQUITIN, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CD2AP SH3-C	[U-99% 15N]	0.2 mM
2	Ubiquitin	natural abundance	1 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.25 mM [U-99% 15N] UBIQUITIN, mM CD2AP SH3-C, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	Ubiquitin	[U-99% 15N]	0.25 mM
6	CD2AP SH3-C	natural abundance	1 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.9 mM [U-99% 13CU-99% 15N] CD2AP SH3-C, 0.46 mM [U-99% 15N UBIQUITIN,

#	Name	Isotope labeling	Concentration
9	CD2AP SH3-C	[U-99% 13C; U-99% 15N]	0.9 mM
10	Ubiquitin	[U-99% 15N]	0.46 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.8 mM [U-99% 13CU-99% 15N] CD2AP SH3-C, 1.37 mM [U-99% 15N] UBIQUITIN,

#	Name	Isotope labeling	Concentration
13	CD2AP SH3-C	[U-99% 13C; U-99% 15N]	0.828 mM
14	Ubiquitin	[U-99% 15N]	1.37 mM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM [U-99% 13CU-99% 15N] CD2AP SH3-C, 1.75 mM [U-99% 15N] UBIQUITIN,

#	Name	Isotope labeling	Concentration
17	CD2AP SH3-C	[U-99% 13C; U-99% 15N]	0.78 mM
18	Ubiquitin	[U-99% 15N]	1.75 mM
19	H2O	natural abundance	90 %
20	D2O	natural abundance	10 %

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.25 mM [U-99% 13C; U-99% 15N] CD2AP SH3-C, 1.75 MM [U-99% 15N] UBIQUITIN,

#	Name	Isotope labeling	Concentration
21	CD2AP SH3-C	[U-99% 13C; U-99% 15N]	0.25 mM
22	Ubiquitin	[U-99% 15N]	1.75 mM
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 10 models in PDB: 2LZ6, Strand ID: A, B Detail

Release date

2013-09-29

Citation

Distinct ubiquitin binding modes exhibited by SH3 domains: molecular determinants and functional implications
Ortega-Roldan, J., Casares, S., Ringkjobing-Jensen, M., Cardenes, N., Bravo, J.CA., Blackledge, M., Azuaga, A., Van Nuland, N.
PLoS One (2013), 8, e73018-e73018, PubMed 24039852 , DOI 10.1371/journal.pone.0073018 , Abstract

Related entities 1. UBIQUITIN, : 92 : 6 : 47 : 182 entities Detail

Related entities 2. CD2-ASSOCIATED PROTEIN, : 1 : 2 : 2 : 301 entities Detail

Interaction partners 2. CD2-ASSOCIATED PROTEIN, : 19 interactors Detail

More details for 19 interactors identified by 8 citations