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 18387

Title: Solution structure of a thiol:disulfide interchange protein from Bacteroides sp.

Authors: Harris, R.; Bandaranayake, A.; Banu, R.; Bonanno, J.; Calarese, D.; Celikgil, A.; Chamala, S.; Chan, M.; Chaparro, R.; Evans, B.; Garforth, S.; Gizzi, A.; Hillerich, B.; Kar, A.; Lafleur, J.; Lim, S.; Love, J.; Matikainen, B.; Patel, H.; Seidel, R.; Smith, B.; Stead, M.; Girvin, M.; Almo, S.

Citation: Harris, R.; Bandaranayake, A.; Banu, R.; Bonanno, J.; Calarese, D.; Celikgil, A.; Chamala, S.; Chan, M.; Chaparro, R.; Evans, B.; Garforth, S.; Gizzi, A.; Hillerich, B.; Kar, A.; Lafleur, J.; Lim, S.; Love, J.; Matikainen, B.; Patel, H.; Seidel, R.; Smith, B.; Stead, M.; Girvin, M.; Almo, S.. "Solution structure of a thiol:disulfide interchange protein from Bacteroides sp."  To be published ., .-..

Assembly members:
thiol:disulfide_interchange_protein, polymer, 152 residues, 17364.814 Da.

Natural source:   Common Name: Bacteroides sp.   Taxonomy ID: 29523   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacteroides sp.

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

Entity Sequences (FASTA):
thiol:disulfide_interchange_protein: MSLATGSVAPAITGIDLKGN SVSLNDFKGKYVLVDFWFAG CSWCRKETPYLLKTYNAFKD KGFTIYGVSTDRREEDWKKA IEEDKSYWNQVLLQKDDVKD VLESYCIVGFPHIILVDPEG KIVAKELRGDDLYNTVEKFV NGAKEGHHHHHH

Data sets:
Data typeCount
13C chemical shifts676
15N chemical shifts149
1H chemical shifts1036

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1thiol:disulfide interchange protein1

Entities:

Entity 1, thiol:disulfide interchange protein 152 residues - 17364.814 Da.

1   METSERLEUALATHRGLYSERVALALAPRO
2   ALAILETHRGLYILEASPLEULYSGLYASN
3   SERVALSERLEUASNASPPHELYSGLYLYS
4   TYRVALLEUVALASPPHETRPPHEALAGLY
5   CYSSERTRPCYSARGLYSGLUTHRPROTYR
6   LEULEULYSTHRTYRASNALAPHELYSASP
7   LYSGLYPHETHRILETYRGLYVALSERTHR
8   ASPARGARGGLUGLUASPTRPLYSLYSALA
9   ILEGLUGLUASPLYSSERTYRTRPASNGLN
10   VALLEULEUGLNLYSASPASPVALLYSASP
11   VALLEUGLUSERTYRCYSILEVALGLYPHE
12   PROHISILEILELEUVALASPPROGLUGLY
13   LYSILEVALALALYSGLULEUARGGLYASP
14   ASPLEUTYRASNTHRVALGLULYSPHEVAL
15   ASNGLYALALYSGLUGLYHISHISHISHIS
16   HISHIS

Samples:

sample_1: thiol:disulfide interchange protein, [U-13C; U-15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 1 mM; EDTA 1 mM

sample_2: thiol:disulfide interchange protein, [U-13C; U-15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 1 mM; EDTA 1 mM

sample_conditions_1: ionic strength: 70 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
15N HSQCsample_1isotropicsample_conditions_1
15N NOESY-HSQCsample_1isotropicsample_conditions_1
13C CT-HSQCsample_2isotropicsample_conditions_1
aromatic 13C HSQCsample_2isotropicsample_conditions_1
13C NOESY-HSQCsample_2isotropicsample_conditions_1
13C aromatic NOESY-HSQCsample_2isotropicsample_conditions_1
HNCOsample_1isotropicsample_conditions_1
HNCACOsample_1isotropicsample_conditions_1
HNCAsample_1isotropicsample_conditions_1
HNCOCAsample_1isotropicsample_conditions_1
HNCACBsample_1isotropicsample_conditions_1
CBCACONHsample_1isotropicsample_conditions_1

Software:

CNS v1.21, Brunger A. T. et.al. - refinement, structure solution

CCPN v2.1.5, CCPN - chemical shift assignment, peak picking

ARIA v2.3, Linge, O, . - data analysis

NMRPipe v5.4, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

MDDNMR v2.0, (MDDNMR) Orekhov, Jaravine, Kazimierczuk - collection, processing

MDDGUI v1.0, (MDDGUI) Lemak, Gutmanas, Chitayat, Karra, Fares, Sunnerhagen, Arrowsmith - collection, processing

VNMRJ v2.2D, Varian - collection

TOPSPIN v2.1, Bruker Biospin - collection

NMR spectrometers:

  • Varian Inova 600 MHz
  • Bruker Avance 900 MHz

Related Database Links:

PDB
EMBL CDF17112 CUO45804 CUP23578 CUQ28905
GB ABR39883 AII62327 AII68254 ALA74015 ALK84387
REF WP_005839115 WP_005848742 WP_007844725 WP_007845545 WP_008668408