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BMRB Entry 25288

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25288
MolProbity Validation Chart

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Title: Solution structure of the TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML)   PubMed: 25355412

Deposition date: 2014-10-17 Original release date: 2014-11-10

Authors: Huang, Shu-Yu; Naik, Mandar; Fan, Pei-Ju; Wang, Ying-Hui; Chang, Chi-Fon; Huang, Tai-Huang

Citation: Huang, Shu-Yu; Naik, Mandar; Wang, Ying-Hui; Chang, Chi-Fon; Fan, Pei-Ju; Shih, Hsiu-Ming; Huang, Tai-Huang. "NMR structure note: The B-box 1 dimer of human promyelocytic leukemia protein"  J. Biomol. NMR 60, 275-281 (2014).

Assembly members:
entity_1, polymer, 51 residues, 5941.833 Da.
entity_ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
entity_1: GSRQIVDAQAVCTRCKESAD FWCFECEQLLCAKCFEAHQW FLKHEARPLAE

Data sets:
Data typeCount
13C chemical shifts362
15N chemical shifts108
1H chemical shifts698

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1_11
2entity_1_21
3ZINC ION_12
4ZINC ION_22
5ZINC ION_32
6ZINC ION_42

Entities:

Entity 1, entity_1_1 51 residues - 5941.833 Da.

GLY A 118, SER A 119, GLY B 118, SER B 119 come from expression tag.

1   GLYSERARGGLNILEVALASPALAGLNALA
2   VALCYSTHRARGCYSLYSGLUSERALAASP
3   PHETRPCYSPHEGLUCYSGLUGLNLEULEU
4   CYSALALYSCYSPHEGLUALAHISGLNTRP
5   PHELEULYSHISGLUALAARGPROLEUALA
6   GLU

Entity 2, ZINC ION_1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: PML B1 box, [U-99% 13C; U-99% 15N], 1 mM; TRIS, [U-98% 2H], 25 mM; sodium chloride 100 mM; TCEP 0.2 mM; zinc chloride 1 mM

sample_2: PML B1 box, [U-99% 13C; U-99% 15N], 1 mM; TRIS, [U-98% 2H], 25 mM; sodium chloride 100 mM; TCEP 0.2 mM; zinc chloride 1 mM

sample_3: PML B1 box, [U-99% 13C; U-99% 15N], 0.5 mM; PML B1 box 0.5 mM; TRIS, [U-98% 2H], 25 mM; sodium chloride 100 mM; TCEP 0.2 mM; zinc chloride 1 mM

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
13C-edited/12C-filtered 3D NOESY-HSQCsample_3isotropicsample_conditions_1

Software:

CYANA v3.9, Guntert, Mumenthaler and Wuthrich - geometry optimization

X-PLOR_NIH v2.26, Schwieters, Kuszewski, Tjandra and Clore - refinement

SPARKY v3.114, Goddard - chemical shift assignment

Procheck v3.5.4, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton - data analysis

TALOS v1.2009.0721.18, Cornilescu, Delaglio and Bax - Torsion angles prediction

NMR spectrometers:

  • Bruker Uniform NMR System 600 MHz
  • Bruker Uniform NMR System 800 MHz
  • Bruker Uniform NMR System 850 MHz

Related Database Links:

PDB
DBJ BAD92187 BAD92288 BAD92648 BAG10798 BAG62579
EMBL CAA44841
GB AAA59972 AAA60125 AAA60126 AAA60351 AAA60352
PIR S42517 S42518 S44380
REF NP_001035900 NP_001266170 NP_001266654 NP_001267024 NP_002666
SP P29590

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts