BMRB Entry 25230

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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/BMR25230
MolProbity Validation Chart

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Title:
Solution Structure of the Human FAAP20 UBZ-Ubiquitin Complex
Deposition date:
2014-09-16
Original release date:
2014-12-01
Authors:
Wang, Su; Wojtaszek, Jessica; Zhou, Pei
Citation:

Citation: Wojtaszek, Jessica; Wang, Su; Kim, Hyungjin; Wu, Qinglin; D'Andrea, Alan; Zhou, Pei. "Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain"  Nucleic Acids Res. 42, 13997-14005 (2014).
PubMed: 25414354

Assembly members:

Assembly members:
UBZ, polymer, 44 residues, 4853.517 Da.
Ubiquitin, polymer, 78 residues, 8802.141 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: pet15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
UBZ: SHMGAAALRSCPMCQKEFAP RLTQLDVDSHLAQCLAESTE DVTW
Ubiquitin: SHMQIFVKTLTGKTITLEVE PSDTIENVKAKIQDKEGIPP DQQRLIFAGKQLEDGRTLSD YNIQKESTLHLVLRLRGG

Data sets:
Data typeCount
13C chemical shifts522
15N chemical shifts122
1H chemical shifts860

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1UBZ1
2Ubiquitin2
3ZINC ION3

Entities:

Entity 1, UBZ 44 residues - 4853.517 Da.

Residues 1-3 represent non-native residues leftover after protease cleavage removal of a affinity tag; Residues 4-44 represent the UBZ domain of FAAP20(140-180).

1   SERHISMETGLYALAALAALALEUARGSER
2   CYSPROMETCYSGLNLYSGLUPHEALAPRO
3   ARGLEUTHRGLNLEUASPVALASPSERHIS
4   LEUALAGLNCYSLEUALAGLUSERTHRGLU
5   ASPVALTHRTRP

Entity 2, Ubiquitin 78 residues - 8802.141 Da.

Residues 1-2 represent non-native residues leftover after protease cleavage removal of an affinity tag; residues 3-78 represent human ubiquitin sequence (1-76).

1   SERHISMETGLNILEPHEVALLYSTHRLEU
2   THRGLYLYSTHRILETHRLEUGLUVALGLU
3   PROSERASPTHRILEGLUASNVALLYSALA
4   LYSILEGLNASPLYSGLUGLYILEPROPRO
5   ASPGLNGLNARGLEUILEPHEALAGLYLYS
6   GLNLEUGLUASPGLYARGTHRLEUSERASP
7   TYRASNILEGLNLYSGLUSERTHRLEUHIS
8   LEUVALLEUARGLEUARGGLYGLY

Entity 3, ZINC ION - Zn - 65.409 Da.

1   ZN

Samples:

15N13C_Ubi: Ubiquitin, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 25 mM; potassium chloride 100 mM; UBZ 2 mM

15N13C_UBZ_Ubi: UBZ, [U-100% 13C; U-100% 15N], 0.8 mM; Ubiquitin, [U-100% 13C; U-100% 15N], 0.8 mM; sodium phosphate 25 mM; potassium chloride 100 mM

15N13C_UBZ_Ubi_NOE: Ubiquitin, [U-100% 13C; U-100% 15N], 3 mM; sodium phosphate 25 mM; potassium chloride 100 mM; UBZ, [U-100% 13C; U-100% 15N], 3 mM

15N13C_UBZ_NOE: Ubiquitin 3 mM; sodium phosphate 25 mM; potassium chloride 100 mM; UBZ, [U-100% 13C; U-100% 15N], 3 mM

15N13C_Ubi_NOE: Ubiquitin, [U-100% 13C; U-100% 15N], 3 mM; sodium phosphate 25 mM; potassium chloride 100 mM; UBZ 3 mM

15N13C_Ubi_D2O: Ubiquitin, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 25 mM; potassium chloride 100 mM; UBZ 2 mM

15N13C_UBZ_Ubi_D2O: UBZ, [U-100% 13C; U-100% 15N], 0.8 mM; Ubiquitin, [U-100% 13C; U-100% 15N], 0.8 mM; sodium phosphate 25 mM; potassium chloride 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC15N13C_Ubiisotropicsample_conditions_1
2D 1H-15N HSQC15N13C_UBZ_Ubiisotropicsample_conditions_1
4D sparse-sampled HCCH TOCSY15N13C_Ubi_D2Oisotropicsample_conditions_1
3D sparse-sampled HA(CA)NH15N13C_Ubiisotropicsample_conditions_1
3D sparse-sampled HNCO15N13C_Ubiisotropicsample_conditions_1
3D sparse-sampled HNCA15N13C_Ubiisotropicsample_conditions_1
3D sparse-sampled HNCACB15N13C_Ubiisotropicsample_conditions_1
3D sparse-sampled HN(CO)CA15N13C_Ubiisotropicsample_conditions_1
3D sparse-sampled HN(COCA)CB15N13C_Ubiisotropicsample_conditions_1
4D sparse-sampled HC(CO)NH-TOCSY15N13C_Ubiisotropicsample_conditions_1
4D sparse-sampled CHNH NOESY15N13C_Ubiisotropicsample_conditions_1
3D 1H-15N NOESY15N13C_Ubiisotropicsample_conditions_1
3D sparse-sampled HA(CACO)NH15N13C_UBZ_Ubiisotropicsample_conditions_1
3D sparse-sampled HA(CA)NH15N13C_UBZ_Ubiisotropicsample_conditions_1
3D sparse-sampled HNCO15N13C_UBZ_Ubiisotropicsample_conditions_1
3D sparse-sampled HNCA15N13C_UBZ_Ubiisotropicsample_conditions_1
3D sparse-sampled HNCACB15N13C_UBZ_Ubiisotropicsample_conditions_1
3D sparse-sampled HN(CO)CA15N13C_UBZ_Ubiisotropicsample_conditions_1
4D sparse-sampled HC(CO)NH-TOCSY15N13C_UBZ_Ubiisotropicsample_conditions_1
4D sparse-sampled CHNH NOESY15N13C_UBZ_Ubiisotropicsample_conditions_1
3D sparse-sampled HN(COCA)CB15N13C_UBZ_Ubiisotropicsample_conditions_1
3D 1H-15N NOESY15N13C_UBZ_Ubiisotropicsample_conditions_1
4D sparse-sampled CHCH NOESY15N13C_UBZ_Ubi_NOEisotropicsample_conditions_1
4D sparse-sampled CHCH NOESY15N13C_UBZ_NOEisotropicsample_conditions_1
4D sparse-sampled CHCH NOESY15N13C_Ubi_NOEisotropicsample_conditions_1
3D sparse-sampled HNCACO15N13C_UBZ_Ubiisotropicsample_conditions_1
4D sparse-sampled HCCH TOCSY15N13C_UBZ_Ubi_D2Oisotropicsample_conditions_1

Software:

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

SPARKY, Goddard - data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

SCRUB, Coggins and Zhou - processing

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

XEASY, Bartels et al. - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

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