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Found 1 Document (3.459 seconds)

BMRB: 11082

2RQU

Solution structure of the complex between the DDEF1 SH3 domain and the APC SAMP1 motif

Authors

Kaieda, S., Matsui, C., Mimori-Kiyosue, Y., Ikegami, T.

Assembly

DDEF1 SH3:APC SAMP1 complex

Entity

1. DDEF1 SH3 (polymer, Thiol state: all free), 61 monomers, 7059.743 Da Detail

VRRVKTIYDC QADNDDELTF IEGEVIIVTG EEDQEWWIGH IEGQPERKGV FPVSFVHILS D

2. APC SAMP1 (polymer, Thiol state: all free), 19 monomers, 2045.470 Da Detail

CIISAMPTKS SRKAKKPAQ

Total weight

9105.213 Da

Max. entity weight

7059.743 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 92.9 %, Completeness (bb): 97.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.9 % (874 of 941)	92.5 % (454 of 491)	93.5 % (343 of 367)	92.8 % (77 of 83)
Backbone	97.5 % (460 of 472)	97.5 % (157 of 161)	97.4 % (229 of 235)	97.4 % (74 of 76)
Sidechain	89.7 % (488 of 544)	90.0 % (297 of 330)	90.8 % (188 of 207)	42.9 % (3 of 7)
Aromatic	82.9 % (58 of 70)	91.4 % (32 of 35)	72.7 % (24 of 33)	100.0 % (2 of 2)
Methyl	94.3 % (83 of 88)	95.5 % (42 of 44)	93.2 % (41 of 44)

1. DDEF1 SH3

VRRVKTIYDC QADNDDELTF IEGEVIIVTG EEDQEWWIGH IEGQPERKGV FPVSFVHILS D

2. APC SAMP1

CIISAMPTKS SRKAKKPAQ

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	DDEF1 SH3	[U-15N]	protein	0.5 mM
2	APC SAMP1	[U-15N]	protein	0.5 mM
3	sodium phosphate	natural abundance	buffer	5 mM
4	DTT	[U-2H]	salt	5 mM
5	sodium azide	natural abundance	salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
8	DDEF1 SH3	[U-13C; U-15N]	protein	0.5 mM
9	APC SAMP1	[U-13C; U-15N]	protein	0.5 mM
10	sodium phosphate	natural abundance	buffer	5 mM
11	DTT	[U-2H]	salt	5 mM
12	sodium azide	natural abundance	salt	0.02 %
13	H2O		solvent	90 %
14	D2O		solvent	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
15	DDEF1 SH3	[U-13C; U-15N]	protein	0.5 mM
16	APC SAMP1	[U-13C; U-15N]	protein	0.5 mM
17	sodium phosphate	natural abundance	buffer	5 mM
18	DTT	[U-2H]	salt	5 mM
19	sodium phosphate	natural abundance	salt	0.02 %
20	D2O		solvent	100 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
21	DDEF1 SH3	[U-15% 13C; U-15N]	protein	0.5 mM
22	APC SAMP1	[U-15% 13C; U-15N]	protein	0.5 mM
23	sodium phosphate	natural abundance	buffer	5 mM
24	DTT	[U-2H]	salt	5 mM
25	sodium azide	natural abundance	salt	0.02 %
26	H2O		solvent	90 %
27	D2O		solvent	10 %

Protein Blocks Logo

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

Release date

2011-05-18

Citation

Structural basis of the recognition of the SAMP motif of adenomatous polyposis coli by the Src-homology 3 domain
Kaieda, S., Matsui, C., Mimori-Kiyosue, Y., Ikegami, T.
Biochemistry (2010), 49, 5143-5153, PubMed 20509626 , DOI 10.1021/bi100563z , Abstract

Entries sharing articles BMRB: 1, Swiss-Prot: 2 entries Detail

  BMRB: 11081 released on 2011-05-18
    Title Solution structure of the human DDEF1 SH3 domain
  Swiss-Prot: Q9ULH1 released on 2003-09-26
    Title ASAP1_HUMAN Entity Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1
  Swiss-Prot: P25054 released on 1992-05-01
    Title APC_HUMAN Entity Adenomatous polyposis coli protein

Related entities 1. DDEF1 SH3, : 6 : 1 : 298 entities Detail

Related entities 2. APC SAMP1, : 1 : 1 : 2 : 1 entities Detail

Interaction partners 1. DDEF1 SH3, : 11 interactors Detail

More details for 11 interactors identified by 7 citations

Interaction partners 2. APC SAMP1, : 163 : 1 interactors Detail

More details for 164 interactors identified by 27 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	DDEF1 SH3	[U-15N]	protein	0.5 mM
2	APC SAMP1	[U-15N]	protein	0.5 mM
3	sodium phosphate	natural abundance	buffer	5 mM
4	DTT	[U-2H]	salt	5 mM
5	sodium azide	natural abundance	salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

2 3D HNCA

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
8	DDEF1 SH3	[U-13C; U-15N]	protein	0.5 mM
9	APC SAMP1	[U-13C; U-15N]	protein	0.5 mM
10	sodium phosphate	natural abundance	buffer	5 mM
11	DTT	[U-2H]	salt	5 mM
12	sodium azide	natural abundance	salt	0.02 %
13	H2O		solvent	90 %
14	D2O		solvent	10 %

3 3D HNCACB

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
8	DDEF1 SH3	[U-13C; U-15N]	protein	0.5 mM
9	APC SAMP1	[U-13C; U-15N]	protein	0.5 mM
10	sodium phosphate	natural abundance	buffer	5 mM
11	DTT	[U-2H]	salt	5 mM
12	sodium azide	natural abundance	salt	0.02 %
13	H2O		solvent	90 %
14	D2O		solvent	10 %

4 3D CBCA(CO)NH

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
8	DDEF1 SH3	[U-13C; U-15N]	protein	0.5 mM
9	APC SAMP1	[U-13C; U-15N]	protein	0.5 mM
10	sodium phosphate	natural abundance	buffer	5 mM
11	DTT	[U-2H]	salt	5 mM
12	sodium azide	natural abundance	salt	0.02 %
13	H2O		solvent	90 %
14	D2O		solvent	10 %

5 3D HNCO

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
8	DDEF1 SH3	[U-13C; U-15N]	protein	0.5 mM
9	APC SAMP1	[U-13C; U-15N]	protein	0.5 mM
10	sodium phosphate	natural abundance	buffer	5 mM
11	DTT	[U-2H]	salt	5 mM
12	sodium azide	natural abundance	salt	0.02 %
13	H2O		solvent	90 %
14	D2O		solvent	10 %

6 3D HBHA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
8	DDEF1 SH3	[U-13C; U-15N]	protein	0.5 mM
9	APC SAMP1	[U-13C; U-15N]	protein	0.5 mM
10	sodium phosphate	natural abundance	buffer	5 mM
11	DTT	[U-2H]	salt	5 mM
12	sodium azide	natural abundance	salt	0.02 %
13	H2O		solvent	90 %
14	D2O		solvent	10 %

7 3D MQ-HCCH-TOCSY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
15	DDEF1 SH3	[U-13C; U-15N]	protein	0.5 mM
16	APC SAMP1	[U-13C; U-15N]	protein	0.5 mM
17	sodium phosphate	natural abundance	buffer	5 mM
18	DTT	[U-2H]	salt	5 mM
19	sodium phosphate	natural abundance	salt	0.02 %
20	D2O		solvent	100 %

8 3D HCCH-TOCSY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
15	DDEF1 SH3	[U-13C; U-15N]	protein	0.5 mM
16	APC SAMP1	[U-13C; U-15N]	protein	0.5 mM
17	sodium phosphate	natural abundance	buffer	5 mM
18	DTT	[U-2H]	salt	5 mM
19	sodium phosphate	natural abundance	salt	0.02 %
20	D2O		solvent	100 %

9 3D 15N-edited NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
1	DDEF1 SH3	[U-15N]	protein	0.5 mM
2	APC SAMP1	[U-15N]	protein	0.5 mM
3	sodium phosphate	natural abundance	buffer	5 mM
4	DTT	[U-2H]	salt	5 mM
5	sodium azide	natural abundance	salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

10 3D aliphatic 13C-edited NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
15	DDEF1 SH3	[U-13C; U-15N]	protein	0.5 mM
16	APC SAMP1	[U-13C; U-15N]	protein	0.5 mM
17	sodium phosphate	natural abundance	buffer	5 mM
18	DTT	[U-2H]	salt	5 mM
19	sodium phosphate	natural abundance	salt	0.02 %
20	D2O		solvent	100 %

11 3D aromatic 13C-edited NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
15	DDEF1 SH3	[U-13C; U-15N]	protein	0.5 mM
16	APC SAMP1	[U-13C; U-15N]	protein	0.5 mM
17	sodium phosphate	natural abundance	buffer	5 mM
18	DTT	[U-2H]	salt	5 mM
19	sodium phosphate	natural abundance	salt	0.02 %
20	D2O		solvent	100 %

12 2D 1H-13C HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
21	DDEF1 SH3	[U-15% 13C; U-15N]	protein	0.5 mM
22	APC SAMP1	[U-15% 13C; U-15N]	protein	0.5 mM
23	sodium phosphate	natural abundance	buffer	5 mM
24	DTT	[U-2H]	salt	5 mM
25	sodium azide	natural abundance	salt	0.02 %
26	H2O		solvent	90 %
27	D2O		solvent	10 %

13 2D 1H-13C CT-HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.2

#	Name	Isotope labeling	Type	Concentration
21	DDEF1 SH3	[U-15% 13C; U-15N]	protein	0.5 mM
22	APC SAMP1	[U-15% 13C; U-15N]	protein	0.5 mM
23	sodium phosphate	natural abundance	buffer	5 mM
24	DTT	[U-2H]	salt	5 mM
25	sodium azide	natural abundance	salt	0.02 %
26	H2O		solvent	90 %
27	D2O		solvent	10 %

nullKeywords GAP, Protein, SAMP motif, SH3 domain, Tumor suppressor

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Found 1 Document (3.459 seconds)

BMRB: 11082

Sample #1

Sample #2

Sample #3

Sample #4

Entries sharing articles BMRB: 1, Swiss-Prot: 2 entries Detail

Related entities 1. DDEF1 SH3, : 6 : 1 : 298 entities Detail

Related entities 2. APC SAMP1, : 1 : 1 : 2 : 1 entities Detail

Interaction partners 1. DDEF1 SH3, : 11 interactors Detail

Interaction partners 2. APC SAMP1, : 163 : 1 interactors Detail

Experiments performed 13 experiments Detail

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