BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 15568

Title: Solution NMR Structure of uncharacterized Lipoprotein B from Nitrosomona europaea. Northeast Structural Genomics Target NeR45A.

Authors: Rossi, Paolo; Wang, Dongyan; Janjua, Haleema; Owens, Leah; Xiao, Rong; Baran, Michael; Swapna, G.V.T.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano

Citation: Rossi, Paolo; Xiao, Rong; Acton, Thomas; Montelione, Gaetano. "Solution NMR Structure of Uncharacterized Lipoprotein B from Nitrosomona europaea. Northeast Structural Genomics Target NeR45A."  . ., .-..

Assembly members:
NeR45A, polymer, 155 residues, 17617.432 Da.

Natural source:   Common Name: Nitrosomonas europaea   Taxonomy ID: 915   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Nitrosomonas europaea

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

Entity Sequences (FASTA):
NeR45A: MGFKLRGQVSELPFERVYIT APAGLTIGSDLERVISTHTR AKVVNKAEKSEAIIQIVHAI REKRILSLSESGRVREFELV YRVAARLLDAHNAELASLQE IRLTRILPFLDAQELAKAAE EEMLYKDMQKDAVQQILRQV SAFTSAGLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts650
15N chemical shifts153
1H chemical shifts1056

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1NeR45A1

Entities:

Entity 1, NeR45A 155 residues - 17617.432 Da.

UniProtKB/TrEMBL ID: Q82VF2_NITEU with trucncated transmembrane region C-term HisTag (LEHHHHHH)

1   METGLYPHELYSLEUARGGLYGLNVALSER
2   GLULEUPROPHEGLUARGVALTYRILETHR
3   ALAPROALAGLYLEUTHRILEGLYSERASP
4   LEUGLUARGVALILESERTHRHISTHRARG
5   ALALYSVALVALASNLYSALAGLULYSSER
6   GLUALAILEILEGLNILEVALHISALAILE
7   ARGGLULYSARGILELEUSERLEUSERGLU
8   SERGLYARGVALARGGLUPHEGLULEUVAL
9   TYRARGVALALAALAARGLEULEUASPALA
10   HISASNALAGLULEUALASERLEUGLNGLU
11   ILEARGLEUTHRARGILELEUPROPHELEU
12   ASPALAGLNGLULEUALALYSALAALAGLU
13   GLUGLUMETLEUTYRLYSASPMETGLNLYS
14   ASPALAVALGLNGLNILELEUARGGLNVAL
15   SERALAPHETHRSERALAGLYLEUGLUHIS
16   HISHISHISHISHIS

Samples:

sample_1: entity 1 mM; MES 20 mM; calcium chloride 5 mM; DTT 100 mM; sodium chloride 100 mM; sodium azide 0.02%; D2O, [U-100% 2H], 5%; H2O 95%

sample_2: entity 0.86 mM; MES 20 mM; calcium chloride 5 mM; DTT 100 mM; sodium chloride 100 mM; sodium azide 0.02%; D2O, [U-100% 2H], 100%

sample_3: entity 1.3 mM; MES 20 mM; calcium chloride 5 mM; DTT 100 mM; sodium chloride 100 mM; sodium azide 0.02%; D2O, [U-100% 2H], 5%; H2O 95%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC (aliph)sample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D SIMULTANEOUS 15N-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
2D 1H-13C HSQC (arom)sample_1isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

AutoAssign v2.4, Zimmerman, Moseley, Kulikowski and Montelione - backbone chemical shift assignment

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

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

PSVS v1.3, Bhattacharya and Montelione - validation

SPARKY v3.112, Goddard - data analysis

TOPSPIN v1.3, Bruker Biospin - collection

Molmol v2.2, Koradi, Billeter and Wuthrich - visualization

RPF v2.1.1, Huang, Powers and Montelione - validation

Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Th - validation

MolProbity, Richardson - validation

XEASY, Bartels et al. - data analysis

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB
EMBL CAD85049
REF WP_011111729