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Solution structure of the human DDEF1 SH3 domain
Authors
Kaieda, S., Matsui, C., Mimori-Kiyosue, Y., Ikegami, T.
Assembly
DDEF1 SH3
Entity
1. DDEF1 SH3 (polymer, Thiol state: all free), 61 monomers, 7059.743 Da Detail

VRRVKTIYDC QADNDDELTF IEGEVIIVTG EEDQEWWIGH IEGQPERKGV FPVSFVHILS D


Formula 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: 100.0 %, Completeness: 96.1 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All96.1 % (689 of 717)94.6 % (350 of 370)98.9 % (279 of 282)92.3 % (60 of 65)
Backbone98.3 % (356 of 362)98.4 % (123 of 125)98.9 % (176 of 178)96.6 % (57 of 59)
Sidechain94.6 % (389 of 411)92.7 % (227 of 245)99.4 % (159 of 160)50.0 % (3 of 6)
Aromatic97.1 % (68 of 70)97.1 % (34 of 35)97.0 % (32 of 33)100.0 % (2 of 2)
Methyl100.0 % (72 of 72)100.0 % (36 of 36)100.0 % (36 of 36)

1. DDEF1 SH3

VRRVKTIYDC QADNDDELTF IEGEVIIVTG EEDQEWWIGH IEGQPERKGV FPVSFVHILS D

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2


#NameIsotope labelingTypeConcentration
1DDEF1 SH3[U-15N]protein0.7 mM
2sodium phosphatenatural abundancebuffer20 mM
3sodium chloridenatural abundancesalt50 mM
4sodium azidenatural abundancesalt0.02 %
5H2Osolvent90 %
6D2Osolvent10 %
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2


#NameIsotope labelingTypeConcentration
7DDEF1 SH3[U-13C; U-15N]protein0.7 mM
8sodium phosphatenatural abundancebuffer20 mM
9sodium chloridenatural abundancesalt50 mM
10sodium azidenatural abundancesalt0.02 %
11H2Osolvent90 %
12D2Osolvent10 %
Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2


#NameIsotope labelingTypeConcentration
13DDEF1 SH3[U-13C; U-15N]protein0.7 mM
14sodium phosphatenatural abundancebuffer20 mM
15sodium chloridenatural abundancesalt50 mM
16sodium azidenatural abundancesalt0.02 %
17D2Osolvent100 %
Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2


#NameIsotope labelingTypeConcentration
18DDEF1 SH3[U-15% 13C; U-15N]protein0.7 mM
19sodium phosphatenatural abundancebuffer20 mM
20sodium chloridenatural abundancesalt50 mM
21sodium azidenatural abundancesalt0.02 %
22H2Osolvent90 %
23D2Osolvent10 %

LACS Plot; CA
Referencing offset: -0.05 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: -0.05 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.06 ppm, Outliers: 2 Detail
LACS Plot; CO
Referencing offset: 0.34 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2RQT, Strand ID: A 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 ,
Entries sharing articles BMRB: 1, Swiss-Prot: 2 entries Detail
  BMRB: 11082 released on 2011-05-18
    Title Solution structure of the complex between the DDEF1 SH3 domain and the APC SAMP1 motif
  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, : 1 : 9 : 1 : 394 entities Detail
Interaction partners 1. DDEF1 SH3, : 11 interactors Detail
Experiments performed 11 experiments Detail
nullKeywords GAP, Protein, SH3 domain