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Biological Magnetic Resonance Data Bank


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BMRB Entry 17524

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17524
MolProbity Validation Chart

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Title: Solution NMR Structure of Mitotic checkpoint serine/threonine-protein kinase BUB1 N-terminal domain from Homo sapiens, Northeast Structural Genomics Consortium Target HR5460A

Deposition date: 2011-03-14 Original release date: 2011-05-09

Authors: Liu, G.; Xiao, R.; Lee, H.; Hamilton, K.; Acton, T.; Ciccosanti, C.; Everett, J.; Shastry, R.; Huang, Y.; Montelione, G.

Citation: Liu, G.; Shastry, R.; Ciccosanti, C.; Hamilton, K.; Acton, T.; Xiao, R.; Everett, J.; Montelione, G.. "Northeast Structural Genomics Consortium Target HR5460A"  To be published ., .-..

Assembly members:
HR5460A, polymer, 160 residues, 19209.656 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):
HR5460A: MGHHHHHHSHMDTPENVLQM LEAHMQSYKGNDPLGEWERY IQWVEENFPENKEYLITLLE HLMKEFLDKKKYHNDPRFIS YCLKFAEYNSDLHQFFEFLY NHGIGTLSSPLYIAWAGHLE AQGELQHASAVLQRGIQNQA EPREFLQQQYRLFQTRLTET

Data sets:
Data typeCount
13C chemical shifts695
15N chemical shifts156
1H chemical shifts1101
residual dipolar couplings84

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HR5460A1

Entities:

Entity 1, HR5460A 160 residues - 19209.656 Da.

1   METGLYHISHISHISHISHISHISSERHIS
2   METASPTHRPROGLUASNVALLEUGLNMET
3   LEUGLUALAHISMETGLNSERTYRLYSGLY
4   ASNASPPROLEUGLYGLUTRPGLUARGTYR
5   ILEGLNTRPVALGLUGLUASNPHEPROGLU
6   ASNLYSGLUTYRLEUILETHRLEULEUGLU
7   HISLEUMETLYSGLUPHELEUASPLYSLYS
8   LYSTYRHISASNASPPROARGPHEILESER
9   TYRCYSLEULYSPHEALAGLUTYRASNSER
10   ASPLEUHISGLNPHEPHEGLUPHELEUTYR
11   ASNHISGLYILEGLYTHRLEUSERSERPRO
12   LEUTYRILEALATRPALAGLYHISLEUGLU
13   ALAGLNGLYGLULEUGLNHISALASERALA
14   VALLEUGLNARGGLYILEGLNASNGLNALA
15   GLUPROARGGLUPHELEUGLNGLNGLNTYR
16   ARGLEUPHEGLNTHRARGLEUTHRGLUTHR

Samples:

sample_NC: HR5460A, [U-100% 13C; U-100% 15N], 1.164 mM; H2O 95%; D2O 5%

sample_NC5: HR5460A, [U-10% 13C; U-100% 15N], 1.033 mM; H2O 95%; D2O 95%; NaCl 100 mM; NaN3 0.02%; DTT 4 mM; Tris-HCl 10 mM

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_NCisotropicsample_conditions_1
2D 1H-13C HSQCsample_NC5isotropicsample_conditions_1
3D HNCOsample_NCisotropicsample_conditions_1
3D CBCA(CO)NHsample_NCisotropicsample_conditions_1
3D HNCACBsample_NCisotropicsample_conditions_1
3D 1H-13C arom NOESYsample_NCisotropicsample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESYsample_NCisotropicsample_conditions_1
2D 1H-15N HSQCsample_NC5isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinemen,structure solution,geometry optimization

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement,geometry optimization,structure solution

AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis,refinement

AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment

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

XEASY, Bartels et al. - data analysis,peak picking,chemical shift assignment

TOPSPIN, Bruker Biospin - collection

VNMRJ, Varian - collection

SPARKY, Goddard - data analysis

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Varian INOVA 600 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAF83910
GB AAB97855 AAC03122 AAC06259 AAC12729 AAD43675
REF NP_001265546 NP_004327 XP_001142040 XP_002811811 XP_003804751
SP O43683

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