BMRB Entry 36251

Name: Solution structure of MUL1-RING domain
Published: 2025-09-27

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PDB ID: 6k2k
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36251
MolProbity Validation Chart

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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 MUL1-RING domain

Deposition date:

2019-05-14

Original release date:

2025-09-27

Authors:

Lee, M.-S., .; Lee, M.-K., .; Ryu, K.-S., .; Chi, S.-W., .

Citation:

Citation: Lee, Min-Sung; Lee, Sang-Ok; Lee, Mi-Kyung; Yi, Gwan-Su; Lee, Chong-Kil; Ryu, Kyonug-Seok; Chi, Seung-Wook. "Solution structure of MUL1-RING domain and its interaction with p53 transactivation domain." Biochem. Biophys. Res. Commun. 516, 533-539 (2019).
PubMed: 31235254

Assembly members:

Assembly members:
Mitochondrial ubiquitin ligase activator of NFKB 1, polymer, 57 residues, 6251.479 Da.
ZINC ION, 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: pGEX-4T3

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Mitochondrial ubiquitin ligase activator of NFKB 1: GSLKSACVVCLSSFKSCVFL ECGHVCSCTECYRALPEPKK CPICRQAITRVIPLYNS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	233
15N chemical shifts	52
1H chemical shifts	386

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_ZN	2

Entities:

Entity 1, entity_1 57 residues - 6251.479 Da.

1

GLY

SER

LEU

LYS

SER

ALA

CYS

VAL

CYS

2

LEU

SER

PHE

LYS

SER

CYS

VAL

PHE

LEU

3

GLU

CYS

GLY

HIS

VAL

CYS

SER

CYS

THR

GLU

4

CYS

TYR

ARG

ALA

LEU

PRO

GLU

PRO

LYS

5

CYS

PRO

ILE

CYS

ARG

GLN

ALA

ILE

THR

ARG

6

VAL

ILE

PRO

LEU

TYR

ASN

SER

Entity 2, entity_ZN - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: Mitochondrial ubiquitin ligase activator of NFKB 1, [U-99% 13C; U-99% 15N], 0.9 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
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 HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D CC(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBCBCGCDHD	sample_1	isotropic	sample_conditions_1
3D HBCBCGCDHDHE	sample_1	isotropic	sample_conditions_1
3D NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	anisotropic	sample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

Sparky, Goddard - chemical shift assignment

Sparky, Goddard - peak picking

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

NMR spectrometers:

Bruker AVANCE II 900 MHz

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