BMRB Entry 51145

Name: K63-linked diubiquitin with 15N-labeled proximal ubiquitin interacting with ASCC2 CUE domain
Published: 2021-12-30

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PDB ID: 7qb0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51145
MolProbity Validation Chart

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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:

K63-linked diubiquitin with 15N-labeled proximal ubiquitin interacting with ASCC2 CUE domain

Deposition date:

2021-10-16

Original release date:

2021-12-30

Authors:

Lombardi, Patrick; Majumdar, Ananya; Wolberger, Cynthia

Citation:

Citation: Lombardi, Patrick; Haile, Sara; Rusanov, Timur; Rodell, Rebecca; Anoh, Rita; Baer, Julia; Burke, Kate; Gray, Lauren; Hacker, Abigail; Kebreau, Kayla; Ngandu, Christine; Orland, Hannah; Osei-Asante, Emmanuella; Schmelyun, Dhane; Shorb, Devin; Syed, Shaheer; Veilleux, Julianna; Majumdar, Ananya; Mosammaparast, Nima; Wolberger, Cynthia. "The ASCC2 CUE domain in the ALKBH3-ASCC DNA repair complex recognizes adjacent ubiquitins in K63-linked polyubiquitin" J. Biol. Chem. 298, 101545-101545 (2022).
PubMed: 34971705

Assembly members:

Assembly members:
entity_1, polymer, 153 residues, Formula weight is not available
entity_2, polymer, 55 residues, Formula weight is not available

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-3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGRQLEDGRTLSDYN IQRESTLHLVLRLRGGMQIF VKTLTGKTITLEVEPSDTIE NVKAKIQDKEGIPPDQQRLI FAGKQLEDGRTLSDYNIQKE STLHLVLRLRGGD
entity_2: ELDSLISQVKDLLPDLGEGF ILACLEYYHYDPEQVINNIL EERLAPTLSQLDRNL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
chem_shift_perturbation
- chem_shift_perturbation_1

Data type	Count
15N chemical shifts	70
1H chemical shifts	70
molecule interaction chemical shift values	66

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	K63-linked diubiquitin	1
2	ASCC2 CUE	2

Entities:

Entity 1, K63-linked diubiquitin 153 residues - Formula weight is not available

1

MET

GLN

ILE

PHE

VAL

LYS

THR

LEU

THR

GLY

2

LYS

THR

ILE

THR

LEU

GLU

VAL

GLU

PRO

SER

3

ASP

THR

ILE

GLU

ASN

VAL

LYS

ALA

LYS

ILE

4

GLN

ASP

LYS

GLU

GLY

ILE

PRO

ASP

GLN

5

GLN

ARG

LEU

ILE

PHE

ALA

GLY

ARG

GLN

LEU

6

GLU

ASP

GLY

ARG

THR

LEU

SER

ASP

TYR

ASN

7

ILE

GLN

ARG

GLU

SER

THR

LEU

HIS

LEU

VAL

8

LEU

ARG

LEU

ARG

GLY

MET

GLN

ILE

PHE

9

VAL

LYS

THR

LEU

THR

GLY

LYS

THR

ILE

THR

10

LEU

GLU

VAL

GLU

PRO

SER

ASP

THR

ILE

GLU

11

ASN

VAL

LYS

ALA

LYS

ILE

GLN

ASP

LYS

GLU

12

GLY

ILE

PRO

ASP

GLN

ARG

LEU

ILE

13

PHE

ALA

GLY

LYS

GLN

LEU

GLU

ASP

GLY

ARG

14

THR

LEU

SER

ASP

TYR

ASN

ILE

GLN

LYS

GLU

15

SER

THR

LEU

HIS

LEU

VAL

LEU

ARG

LEU

ARG

16

GLY

ASP

Entity 2, ASCC2 CUE 55 residues - Formula weight is not available

1

GLU

LEU

ASP

SER

LEU

ILE

SER

GLN

VAL

LYS

2

ASP

LEU

PRO

ASP

LEU

GLY

GLU

GLY

PHE

3

ILE

LEU

ALA

CYS

LEU

GLU

TYR

HIS

TYR

4

ASP

PRO

GLU

GLN

VAL

ILE

ASN

ILE

LEU

5

GLU

ARG

LEU

ALA

PRO

THR

LEU

SER

GLN

6

LEU

ASP

ARG

ASN

LEU

Samples:

sample_1: ASCC2 CUE domain 500 uM; K63-linked diubiquitin, [U-15N], 100 uM; Tris 20 mM; NaCl 100 mM; TCEP 200 mM

sample_2: ASCC2 CUE domain 200 uM; K63-linked diubiquitin, [U-15N], 100 uM; Tris 20 mM; NaCl 100 mM; TCEP 200 mM

sample_3: ASCC2 CUE domain 100 uM; K63-linked diubiquitin, [U-15N], 100 uM; Tris 20 mM; NaCl 100 mM; TCEP 200 mM

sample_4: ASCC2 CUE domain 30 uM; K63-linked diubiquitin, [U-15N], 100 uM; Tris 20 mM; NaCl 100 mM; TCEP 200 mM

sample_5: K63-linked diubiquitin, [U-15N], 100 uM; Tris 20 mM; NaCl 100 mM; TCEP 200 mM

sample_conditions_1: ionic strength: 0.11 M; pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe - processing

CcpNMR - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Bruker AVANCE II 600 MHz

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