BMRB Entry 16485

Name: Solution structure of the THAP zinc finger of THAP1 in complex with its DNA target
Published: 2010-02-17

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PDB ID: 2ko0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16485
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of the THAP zinc finger of THAP1 in complex with its DNA target

Deposition date:

2009-09-08

Original release date:

2010-02-17

Authors:

Campagne, Sebastien; Gervais, Virginie; Saurel, Olivier; Milon, Alain

Citation:

Citation: Campagne, Sebastien; Saurel, Olivier; Gervais, Virginie; Milon, Alain. "Structural determinants of specific DNA-recognition by the THAP zinc finger." Nucleic Acids Res. 38, 3466-3476 (2010).
PubMed: 20144952

Assembly members:

Assembly members:
THAP_domain, polymer, 87 residues, Formula weight is not available
RRM1, polymer, 32 residues, Formula weight is not available
ZN, non-polymer, 65.409 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: pET26

Entity Sequences (FASTA):

Entity Sequences (FASTA):
THAP_domain: MVQSCSAYGCKNRYDKDKPV SFHKFPLTRPSLCKEWEAAV RRKNFKPTKYSSICSEHFTP DSFKRESNNKLLKENAVPTI FLELVPR
RRM1: GCTTGTGTGGGCAGCGCGCT GCCCACACAAGC

Data sets:

RDCs
- RDC_DHNN
assigned_chemical_shifts
- assigned_chem_shift_list_1
- Assigned_chem_shifts_list_2
heteronucl_NOEs
- heteronuclear_noe
heteronucl_T1_relaxation
- R1_15N
heteronucl_T2_relaxation
- R2_15N

Data type	Count
13C chemical shifts	351
15N chemical shifts	84
1H chemical shifts	892
T1 relaxation values	73
T2 relaxation values	73
heteronuclear NOE values	73
residual dipolar couplings	53

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	THAP_domain	1
2	RRM1	2
3	ZN	3

Entities:

Entity 1, THAP_domain 87 residues - Formula weight is not available

1

MET

VAL

GLN

SER

CYS

SER

ALA

TYR

GLY

CYS

2

LYS

ASN

ARG

TYR

ASP

LYS

ASP

LYS

PRO

VAL

3

SER

PHE

HIS

LYS

PHE

PRO

LEU

THR

ARG

PRO

4

SER

LEU

CYS

LYS

GLU

TRP

GLU

ALA

VAL

5

ARG

LYS

ASN

PHE

LYS

PRO

THR

LYS

TYR

6

SER

ILE

CYS

SER

GLU

HIS

PHE

THR

PRO

7

ASP

SER

PHE

LYS

ARG

GLU

SER

ASN

LYS

8

LEU

LYS

GLU

ASN

ALA

VAL

PRO

THR

ILE

9

PHE

LEU

GLU

LEU

VAL

PRO

ARG

Entity 2, RRM1 32 residues - Formula weight is not available

1

DG

DC

DT

DG

DT

DG

DT

DG

2

DG

DC

DA

DG

DC

DG

DC

DG

DC

DT

3

DG

DC

DA

DC

DA

DC

DA

4

DG

DC

Entity 3, ZN - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: THAP domain, [U-100% 13C; U-100% 15N], 1 mM; RRM1 1 mM; D2O 10%; H2O 90%; NaCl 30 mM

sample_2: THAP domain 1 mM; RRM1 1 mM; D2O 10%; H2O 90%; NaCl 30 mM

sample_conditions_1: ionic strength: 0.03 M; pH: 6.8; pressure: 1 atm; temperature: 296 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D IPAP 15N HSQC	sample_1	isotropic	sample_conditions_1
2D 15N HSQC T1	sample_1	isotropic	sample_conditions_1
2D 15N HSQC T2	sample_1	isotropic	sample_conditions_1
2D 15N HSQC Heteronuclear NOE	sample_1	isotropic	sample_conditions_1

Software:

XEASY, Keller and Wuthrich - chemical shift assignment, data analysis

NMRView, Johnson, One Moon Scientific - data analysis

NMR spectrometers:

Bruker Avance 950 MHz
Bruker Avance 600 MHz