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Biological Magnetic Resonance Data Bank


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BMRB Entry 19001

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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/BMR19001
MolProbity Validation Chart

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Title: OspE   PubMed: 23658013

Deposition date: 2013-02-05 Original release date: 2013-05-13

Authors: Bhattacharjee, Arnab; Oeemig, Jesper; Kolodziejczyk, Robert; Meri, Taru; Kajander, Tommi; Iwai, Hideo; Jokiranta, T. Sakari; Goldman, Adrian

Citation: Bhattacharjee, Arnab; Oeemig, Jesper; Kolodziejczyk, Robert; Meri, Taru; Kajander, Tommi; Lehtinen, Markus; Iwai, Hideo; Jokiranta, T. Sakari; Goldman, Adrian. "Structural basis for complement evasion by Lyme disease pathogen Borrelia burgdorferi."  J. Biol. Chem. 288, 18685-18695 (2013).

Assembly members:
OspE, polymer, 151 residues, 16942.129 Da.

Natural source:   Common Name: Lyme disease spirochete   Taxonomy ID: 139   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Borrelia burgdorferi

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

Entity Sequences (FASTA):
OspE: KIHTSYDEQSSGESKVKKIE FSKFTVKIKNKDKSGNWTDL GDLVVRKEENGIDTGLNAGG HSATFFSLEEEVVNNFVKVM TEGGSFKTSLYYGYKEEQSV INGIQNKEIITKIEKIDGTE YITFSGDKIKNSGDKVAEYA ISLEELKKNLK

Data sets:
Data typeCount
13C chemical shifts653
15N chemical shifts163
1H chemical shifts1020

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1OspE1

Entities:

Entity 1, OspE 151 residues - 16942.129 Da.

1   LYSILEHISTHRSERTYRASPGLUGLNSER
2   SERGLYGLUSERLYSVALLYSLYSILEGLU
3   PHESERLYSPHETHRVALLYSILELYSASN
4   LYSASPLYSSERGLYASNTRPTHRASPLEU
5   GLYASPLEUVALVALARGLYSGLUGLUASN
6   GLYILEASPTHRGLYLEUASNALAGLYGLY
7   HISSERALATHRPHEPHESERLEUGLUGLU
8   GLUVALVALASNASNPHEVALLYSVALMET
9   THRGLUGLYGLYSERPHELYSTHRSERLEU
10   TYRTYRGLYTYRLYSGLUGLUGLNSERVAL
11   ILEASNGLYILEGLNASNLYSGLUILEILE
12   THRLYSILEGLULYSILEASPGLYTHRGLU
13   TYRILETHRPHESERGLYASPLYSILELYS
14   ASNSERGLYASPLYSVALALAGLUTYRALA
15   ILESERLEUGLUGLULEULYSLYSASNLEU
16   LYS

Samples:

sample_1: OspE, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 20 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 20 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCACOsample_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
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
(HB)CB(CDCE)HEsample_1isotropicsample_conditions_1
(HB)CB(CD)HDsample_1isotropicsample_conditions_1

Software:

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CING, Vuister - Structure validation

CYANA v3, Guntert, Mumenthaler and Wuthrich - structure solution

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

VNMRJ, Varian - collection

ANALYSIS, CCPN - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

GB AAA22959.1 AAA22959 ADQ29858
PDB
REF WP_014540873

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