BMRB Entry 18012

Name: Solution structure of N-terminal domain of human TIG3
Published: 2012-02-10

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PDB ID: 2lkt
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18012
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of N-terminal domain of human TIG3

Deposition date:

2011-10-21

Original release date:

2012-02-10

Authors:

Wang, Lei; Yu, Wenyu; Xia, Bin

Citation:

Citation: Wang, Lei; Yu, Wenyu; Ren, Xiaobai; Lin, Jian; Jin, Changwen; Xia, Bin. "1H, 13C, and 15N resonance assignments of the N-terminal domain of human TIG3." Biomol. NMR Assignments 6, 201-203 (2012).
PubMed: 22290676

Assembly members:

Assembly members:
entity, polymer, 125 residues, 14050.996 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: recombinant technology Host organism: Escherichia coli Vector: pET-21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MASPHQEPKPGDLIEIFRLG YEHWALYIGDGYVIHLAPPS EYPGAGSSSVFSVLSNSAEV KRERLEDVVGGCCYRVNNSL DHEYQPRPVEVIISSAKEMV GQKMKYSIVSRNCEHFVTQL RYGKS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	452
15N chemical shifts	103
1H chemical shifts	729

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	N-terminal domain of human TIG3	1

Entities:

Entity 1, N-terminal domain of human TIG3 125 residues - 14050.996 Da.

This is the N-terminal domain of human tumor suppressor protein

1

MET

ALA

SER

PRO

HIS

GLN

GLU

PRO

LYS

PRO

2

GLY

ASP

LEU

ILE

GLU

ILE

PHE

ARG

LEU

GLY

3

TYR

GLU

HIS

TRP

ALA

LEU

TYR

ILE

GLY

ASP

4

GLY

TYR

VAL

ILE

HIS

LEU

ALA

PRO

SER

5

GLU

TYR

PRO

GLY

ALA

GLY

SER

VAL

6

PHE

SER

VAL

LEU

SER

ASN

SER

ALA

GLU

VAL

7

LYS

ARG

GLU

ARG

LEU

GLU

ASP

VAL

GLY

8

GLY

CYS

TYR

ARG

VAL

ASN

SER

LEU

9

ASP

HIS

GLU

TYR

GLN

PRO

ARG

PRO

VAL

GLU

10

VAL

ILE

SER

ALA

LYS

GLU

MET

VAL

11

GLY

GLN

LYS

MET

LYS

TYR

SER

ILE

VAL

SER

12

ARG

ASN

CYS

GLU

HIS

PHE

VAL

THR

GLN

LEU

13

ARG

TYR

GLY

LYS

SER

Samples:

sample_1: TIG3N protein, [U-13C; U-15N], 0.5 mM; sodium phosphate 50 mM; sodium chloride 50 mM; DTT 20 mM; urea 2 M; H2O 95%; D2O, [U-2H], 5%; DSS 0.01%

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1

Software:

AMBER v9.0, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

DYANA v3.0, Guntert, Braun and Wuthrich - structure solution

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

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

NMRView v5.0, Johnson, One Moon Scientific - peak picking

ProcheckNMR, Laskowski and MacArthur - geometry optimization

SANE, Duggan, Legge, Dyson & Wright - chemical shift assignment

TOPSPIN v3.0, Bruker Biospin - collection

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 800 MHz

BMRB	25448 2545
PDB	2LKT 2MY9
DBJ	BAB08109 BAG35046 BAG56873 BAH22446
GB	AAC84000 AAF02294 AAH09678 ABM82370 ABM85548
REF	NP_004576 XP_003828577 XP_004051454 XP_508513
SP	Q9UL19
AlphaFold	Q9UL19