BMRB Entry 51655

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51655
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
UBE3A isoform 2 AZUL
Deposition date:
2022-10-06
Original release date:
2022-11-07
Authors:
Bregnard, Thomas; Bezsonova, Irina
Citation:

Citation: Bregnard, Thomas; Fairchild, Daniel; Chen, Xiang; Erlandsen, Heidi; Walters, Kylie; Korzhnev, Dmitry; Bezsonova, Irina. "Differences in structure, dynamics and Zn-coordination between isoforms of human ubiquitin ligase UBE3A"  .

Assembly members:

Assembly members:
entity_1, polymer, . residues, 10201.56 Da.
entity_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: pET28b+

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMEKLHQCYWKSGEPQSD DIEASRMKRAAAKHLIERYY HQLTEGCGNEACTNEFCASC PTFLRMDNNAAAIKALELYK INAKLCDPHP

Data sets:
Data typeCount
13C chemical shifts368
15N chemical shifts92
1H chemical shifts548

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1polypeptide chain1
2zinc2

Entities:

Entity 1, polypeptide chain - 10201.56 Da.

Residues 1-3 are left over from tag cleavage. Residues 4-90 comprise the extended AZUL domain of UBE3A isoform 2.

1   GLYSERHISMETGLULYSLEUHISGLNCYS
2   TYRTRPLYSSERGLYGLUPROGLNSERASP
3   ASPILEGLUALASERARGMETLYSARGALA
4   ALAALALYSHISLEUILEGLUARGTYRTYR
5   HISGLNLEUTHRGLUGLYCYSGLYASNGLU
6   ALACYSTHRASNGLUPHECYSALASERCYS
7   PROTHRPHELEUARGMETASPASNASNALA
8   ALAALAILELYSALALEUGLULEUTYRLYS
9   ILEASNALALYSLEUCYSASPPROHISPRO

Entity 2, zinc - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: UBE3A AZUL iso2, [U-99% 13C; U-99% 15N], 1.8 mM; MOPS 10 mM; sodium chloride 450 mM; beta-mercaptoethanol 10 mM; zinc sulfate 10 uM

sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

NMRPipe - processing

NMRFAM-SPARKY - chemical shift assignment

TALOS+ - geometry optimization

CYANA - structure solution

CNS - refinement

NMR spectrometers:

  • Agilent VNMRS 800 MHz

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