BMRB Entry 5072

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5072
MolProbity Validation Chart

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Title:
CD3 Epsilon and gamma Ectodomain Fragment Complex in Single-Chain Construct
Deposition date:
2001-07-09
Original release date:
2001-07-17
Authors:
Sun, Z.-Y.; Kim, K.; Wagner, G.; Reinherz, E.
Citation:

Citation: Sun, Z.Y.; Kim, K.; Wagner, G.; Reinherz, E.. "Mechanisms Contributing to T Cell Receptor Signaling and Assembly Revealed by the Solution Structure of an Ectodomain Fragment of the CD3eg Heterodimer"  Cell 105, 913-923 (2001).
PubMed: 11439187

Assembly members:

Assembly members:
CD3 epsilon and gamma ectodomain, polymer, 186 residues, 20604 Da.

Natural source:

Natural source:   Common Name: Mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CD3 epsilon and gamma ectodomain: DDAENIEYKVSISGTSVELT CPLDSDENLKWEKNGQELPQ KHDKHLVLQDFSEVEDSGYY VCYTPASNKNTYLYLKARVG SADDAKKDAAKKDDAKKDDA KKDGSQTNKAKNLVQVDGSR GDGSVLLTCGLTDKTIKWLK DGSIISPLNATKNTWNLGNN AKDPRGTYQCQGAKETSNPL QVYYRM

Data sets:
Data typeCount
13C chemical shifts564
15N chemical shifts160
1H chemical shifts1030

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1linked CD3 ectodomains1

Entities:

Entity 1, linked CD3 ectodomains 186 residues - 20604 Da.

1   ASPASPALAGLUASNILEGLUTYRLYSVAL
2   SERILESERGLYTHRSERVALGLULEUTHR
3   CYSPROLEUASPSERASPGLUASNLEULYS
4   TRPGLULYSASNGLYGLNGLULEUPROGLN
5   LYSHISASPLYSHISLEUVALLEUGLNASP
6   PHESERGLUVALGLUASPSERGLYTYRTYR
7   VALCYSTYRTHRPROALASERASNLYSASN
8   THRTYRLEUTYRLEULYSALAARGVALGLY
9   SERALAASPASPALALYSLYSASPALAALA
10   LYSLYSASPASPALALYSLYSASPASPALA
11   LYSLYSASPGLYSERGLNTHRASNLYSALA
12   LYSASNLEUVALGLNVALASPGLYSERARG
13   GLYASPGLYSERVALLEULEUTHRCYSGLY
14   LEUTHRASPLYSTHRILELYSTRPLEULYS
15   ASPGLYSERILEILESERPROLEUASNALA
16   THRLYSASNTHRTRPASNLEUGLYASNASN
17   ALALYSASPPROARGGLYTHRTYRGLNCYS
18   GLNGLYALALYSGLUTHRSERASNPROLEU
19   GLNVALTYRTYRARGMET

Samples:

sample_1: CD3 epsilon and gamma ectodomain, [U-15N; U-13C; U-2H], 0.5 mM; sodium acetate 5 mM; H2O 90%; D2O 10%

sample_2: CD3 epsilon and gamma ectodomain 0.5 mM; sodium acetate 5 mM; D2O 100%

sample_3: CD3 epsilon and gamma ectodomain, [U-15N; U-13C; U-70% 2H], 0.5 mM; sodium acetate 5 mM; H2O 90%; D2O 10%

sample_4: CD3 epsilon and gamma ectodomain, [U-15N], 0.5 mM; sodium acetate 5 mM; H2O 90%; D2O 10%

sample_5: CD3 epsilon and gamma ectodomain, [U-13C], 0.5 mM; sodium acetate 5 mM; D2O 100%

sample_6: CD3 epsilon and gamma ectodomain, [U-10% 13C], 0.5 mM; sodium acetate 5 mM; D2O 100%

sample_cond_1: ionic strength: 5 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
HNCAnot availablenot availablenot available
HN(CO)CAnot availablenot availablenot available
HN(CA)CBnot availablenot availablenot available
HN(COCA)CBnot availablenot availablenot available
HNCOnot availablenot availablenot available
HN(CA)COnot availablenot availablenot available
2D-NOESYnot availablenot availablenot available
2D-TOCSYnot availablenot availablenot available
H(CCO)NHnot availablenot availablenot available
15N-NOESYnot availablenot availablenot available
15N-TOCSYnot availablenot availablenot available
13C-NOESYnot availablenot availablenot available
13C-HCCHTOCSYnot availablenot availablenot available
13C-HSQCnot availablenot availablenot available
15N-HSQCnot availablenot availablenot available
HNHAnot availablenot availablenot available
HNHBnot availablenot availablenot available

Software:

PROSA v3.7 - processing

XEASY v1.3.13 - data analysis

DYANA v1.4 - structure solution

X-PLOR v3.1 - structure solution

NMR spectrometers:

  • Varian INOVA 750 MHz
  • BRUKER AVANCE 500 MHz

Related Database Links:

PDB

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks