BMRB Entry 30986

Name: NMR solution structure of the phosphorylated MUS81-binding region from human SLX4
Published: 2022-10-13

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PDB ID: 7tuj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30986
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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:

NMR solution structure of the phosphorylated MUS81-binding region from human SLX4

Deposition date:

2022-02-02

Original release date:

2022-10-13

Authors:

Payliss, B.; Reichheld, S.; Lemak, A.; Sharpe, S.; Arrowsmith, C.; Wyatt, H.

Citation:

Citation: Payliss, Brandon; Tse, Ying Wah; Reichheld, Sean; Lemak, Alexander; Yun, Hwa Young; Houliston, Scott; Patel, Ayushi; Arrowsmith, Cheryl; Sharpe, Simon; Wyatt, Haley. "Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease" Cell Rep. 41, 111537-111537 (2022).
PubMed: 36288699

Assembly members:

Assembly members:
entity_1, polymer, 86 residues, 9956.198 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 BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AQMPSAGGAQKPEGLEXPKG ANRKKNLPPKVPIXPMPQYS IMEXPVLKKELDRFGVRPLP KRQMVLKLKEIFQYTHQTLD SDSEDE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	357
15N chemical shifts	78
1H chemical shifts	547

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 86 residues - 9956.198 Da.

1

ALA

GLN

MET

PRO

SER

ALA

GLY

ALA

GLN

2

LYS

PRO

GLU

GLY

LEU

GLU

TPO

PRO

LYS

GLY

3

ALA

ASN

ARG

LYS

ASN

LEU

PRO

LYS

4

VAL

PRO

ILE

TPO

PRO

MET

PRO

GLN

TYR

SER

5

ILE

MET

GLU

TPO

PRO

VAL

LEU

LYS

GLU

6

LEU

ASP

ARG

PHE

GLY

VAL

ARG

PRO

LEU

PRO

7

LYS

ARG

GLN

MET

VAL

LEU

LYS

LEU

LYS

GLU

8

ILE

PHE

GLN

TYR

THR

HIS

GLN

THR

LEU

ASP

9

SER

ASP

SER

GLU

ASP

GLU

Samples:

sample_1: Phosphorylated MUS81-binding region of human SLX4, [U-100% 13C; U-100% 15N], 500 uM; sodium phosphate 25 mM; sodium chloride 100 mM; EDTA 100 uM; sodium azide 100 uM

sample_conditions_1: ionic strength: 0.125 M; pH: 7.4; pressure: 1 atm; temperature: 283 K

Experiments:

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

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

FMCGUI, Lemak and Arrowsmith - data analysis

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

NMRFAM-SPARKY, Lee, Tonelli, and Markley - peak picking

CcpNmr Analysis, CCPN - peak picking

NMR spectrometers:

Bruker AVANCE III 700 MHz

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