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BMRB: 15866

2K6D

CIN85 Sh3-C domain in complex with ubiquitin

Authors

Forman-Kay, J., Bezsonova, I.

Assembly

CIN85 Sh3-C domain/ubiquitin complex

Entity

1. CIN85 Sh3-C domain (polymer, Thiol state: not reported), 62 monomers, 7143.024 × 8 Da Detail

KSKDYCKVIF PYEAQNDDEL TIKEGDIVTL INKDCIDVGW WEGELNGRRG VFPDNFVKLL PP

2. ubiquitin (polymer, Thiol state: not reported), 76 monomers, 8610.822 × 8 Da Detail

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGC

Total weight

126030.766 Da

Max. entity weight

8610.822 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 44.9 %, Completeness: 17.2 %, Completeness (bb): 31.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	17.2 % (285 of 1660)	10.6 % (92 of 871)	20.8 % (134 of 643)	40.4 % (59 of 146)
Backbone	31.0 % (252 of 814)	24.4 % (68 of 279)	30.9 % (125 of 404)	45.0 % (59 of 131)
Sidechain	9.2 % (90 of 974)	4.2 % (25 of 592)	17.7 % (65 of 367)	0.0 % (0 of 15)
Aromatic	0.0 % (0 of 102)	0.0 % (0 of 51)	0.0 % (0 of 49)	0.0 % (0 of 2)
Methyl	6.7 % (11 of 164)	6.1 % (5 of 82)	7.3 % (6 of 82)

1. CIN85 Sh3-C domain

KSKDYCKVIF PYEAQNDDEL TIKEGDIVTL INKDCIDVGW WEGELNGRRG VFPDNFVKLL PP

2. ubiquitin

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGC

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Concentration
1	entity_1	natural abundance	0.1-1.0 mM
2	entity_2	[U-100% 15N]	0.1-5.0 mM
3	sodium phosphate	natural abundance	50 mM
4	DTT	natural abundance	2 mM
5	DSS	natural abundance	5 mM
6	sodium chloride	natural abundance	150 mM
7	H2O	natural abundance	90 %
8	D2O	[U-100% 2H]	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Concentration
9	entity_1	[U-100% 15N]	0.1-1.0 mM
10	entity_2	natural abundance	0.1-5.0 mM
11	sodium phosphate	natural abundance	50 mM
12	DTT	natural abundance	2 mM
13	DSS	natural abundance	5 mM
14	sodium chloride	natural abundance	150 mM
15	H2O	natural abundance	90 %
16	D2O	[U-100% 2H]	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Concentration
17	entity_1	[U-100% 13C; U-100% 15N]	1.0 mM
18	sodium phosphate	natural abundance	50 mM
19	DTT	natural abundance	2 mM
20	DSS	natural abundance	5 mM
21	sodium chloride	natural abundance	150 mM
22	H2O	natural abundance	90 %
23	D2O	[U-100% 2H]	10 %

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: 0.16 ppm, Outliers: 3 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: 0.16 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 8 models in PDB: 2K6D, Strand ID: A, B Detail

Release date

2008-10-07

Citation

Interactions between the three CIN85 SH3 domains and ubiquitin: implications for CIN85 ubiquitination
Bezsonova, I., Bruce, C., Wiesner, S., Lin, H., Rotin, D., Forman-Kay, J.
Biochemistry (2008), 47, 8937-8949, PubMed 18680311 , DOI 10.1021/bi800439t , Abstract

Related entities 1. CIN85 Sh3-C domain, : 1 : 3 : 1 : 423 entities Detail

Related entities 2. ubiquitin, : 138 : 188 entities Detail

Interaction partners 1. CIN85 Sh3-C domain, : 50 interactors Detail

More details for 50 interactors identified by 24 citations

Experiments performed 5 experiments Detail

1 2D 1H-15N HSQC