BMRB Entry 18889

Name: CD3e cyt
Published: 2013-10-15

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18889

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

CD3e cyt

Deposition date:

2012-12-11

Original release date:

2013-10-15

Authors:

Mayzel, Maxim

Citation:

Citation: Isaksson, Linnea; Mayzel, Maxim; Saline, Maria; Pedersen, Anders; Brutscher, Bernhard; Karlsson, Goran; Orekhov, Vladislav. "Highly efficient NMR assignment of intrinsically disordered proteins: application to B- and T cell receptor domains" PLoS One 8, e62947-e62947 (2013).
PubMed: 23667548

Assembly members:

Assembly members:
CD3e, polymer, 57 residues, 6390.3331 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: cell free synthesis Host organism: Wheat germ - cell freeE. coli - cell free Vector: pEXP5-NT

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CD3e: SLKNRKAKAKPVTRGAGAGG RQRGQNKERPPPVPNPDYEP IRKGQRDLYSGLNQRRI

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_list_1_2

Data type	Count
13C chemical shifts	304
15N chemical shifts	94
1H chemical shifts	94

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CD3e	1

Entities:

Entity 1, CD3e 57 residues - 6390.3331 Da.

1

SER

LEU

LYS

ASN

ARG

LYS

ALA

LYS

ALA

LYS

2

PRO

VAL

THR

ARG

GLY

ALA

GLY

ALA

GLY

3

ARG

GLN

ARG

GLY

GLN

ASN

LYS

GLU

ARG

PRO

4

PRO

VAL

PRO

ASN

PRO

ASP

TYR

GLU

PRO

5

ILE

ARG

LYS

GLY

GLN

ARG

ASP

LEU

TYR

SER

6

GLY

LEU

ASN

GLN

ARG

ILE

Samples:

Native: CD3e, [U-100% 13C; U-100% 15N], 0.1 mM; DTT 2.0 mM; EDTA 1.0 mM; potassium phospate 20.0 mM; azide 0.02%; Complete EDTA-free 1.0 x

Denatured: CD3e, [U-100% 13C; U-100% 15N], 0.1 mM; DTT 2.0 mM; EDTA 1.0 mM; potassium phospate 20.0 mM; azide 0.02%; Complete EDTA-free 1 x; Urea 6 M

1: ionic strength: 0.020 M; pH: 6.800; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	Native	isotropic	1
3D HNCACB	Native	isotropic	1
3D HN(CA)CO	Native	isotropic	1
3D HNCO	Native	isotropic	1
3D HN(CO)CA	Native	isotropic	1
3D HN(CO)CACB	Native	isotropic	1
2D 1H-15N HSQC/HMQC	Native	isotropic	1
2D 1H-15N HSQC/HMQC	Denatured	isotropic	1
3D HNCA	Denatured	isotropic	1
3D HNCACB	Denatured	isotropic	1
3D HN(CA)CO	Denatured	isotropic	1
3D HNCO	Denatured	isotropic	1
3D HN(CO)CA	Denatured	isotropic	1
3D HN(CO)CACB	Denatured	isotropic	1

Software:

AutoAssign v2.3.0, Zimmerman, Moseley, Kulikowski and Montelione - Automatic assignment

ANALYSIS v2.2, CCPN - refinement

MDDNMR v2.1, Swedish NMR Center, University of Gothenburg - Spectrum processing

TANSY v1.0, Swedish NMR Center, University of Gothenburg - Spectra processing & analysis

NMRPipe vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - Spectrum processing

NMR spectrometers:

Varian UnityPlus 600 MHz

UNP	P07766
DBJ	BAB71849 BAB71850 BAF85301 BAJ16130 BAJ16131
EMBL	CAA27516
GB	AAA52295 AAH49847 AAV38740 AAX42814 AAX42815
REF	NP_000724 NP_001270544 XP_001097204 XP_002822594 XP_003253275
SP	P07766 Q95LI5
AlphaFold	A8K997 P07766 Q95LI5