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 19343

Title: SOLUTION STRUCTURE OF OPA60 FROM N. GONORRHOEAE   PubMed: 24813921

Authors: Columbus, Linda; Fox, Daniel; Larsson, Per; Lo, Ryan; Kroncke, Brett; Kasson, Peter

Citation: Columbus, Linda; Fox, Daniel; Larsson, Per; Lo, Ryan; Kroncke, Brett; Kasson, Peter. "Structure of the Neisserial Outer Membrane Protein Opa60: Loop Flexibility Essential to Receptor Recognition and Bacterial Engulfment"  J. Am. Chem. Soc. ., .-..

Assembly members:
OPA60, polymer, 238 residues, 26655.883 Da.

Natural source:   Common Name: Neisseria gonorrhoeae   Taxonomy ID: 485   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Neisseria gonorrhoeae

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

Entity Sequences (FASTA):
OPA60: ASEDGGRGPYVQADLAYAYE HITHDYPEPTAPNKNKISTV SDYFRNIRTRSVHPRVSVGY DFGGWRIAADYARYRKWNNN KYSVNIENVRIRKENGIRID RKTENQENGTFHAVSSLGLS AIYDFQINDKFKPYIGARVA YGHVRHSIDSTKKTIEVTTV PSNAPNGAVTTYNTDPKTQN DYQSNSIRRVGLGVIAGVGF DITPKLTLDAGYRYHNWGRL ENTRFKTHEASLGVRYRF

Data sets:
Data typeCount
1H chemical shifts106
13C chemical shifts316
15N chemical shifts106

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1OPA60 FROM N. GONORRHOEAE1

Entities:

Entity 1, OPA60 FROM N. GONORRHOEAE 238 residues - 26655.883 Da.

1   ALASERGLUASPGLYGLYARGGLYPROTYR
2   VALGLNALAASPLEUALATYRALATYRGLU
3   HISILETHRHISASPTYRPROGLUPROTHR
4   ALAPROASNLYSASNLYSILESERTHRVAL
5   SERASPTYRPHEARGASNILEARGTHRARG
6   SERVALHISPROARGVALSERVALGLYTYR
7   ASPPHEGLYGLYTRPARGILEALAALAASP
8   TYRALAARGTYRARGLYSTRPASNASNASN
9   LYSTYRSERVALASNILEGLUASNVALARG
10   ILEARGLYSGLUASNGLYILEARGILEASP
11   ARGLYSTHRGLUASNGLNGLUASNGLYTHR
12   PHEHISALAVALSERSERLEUGLYLEUSER
13   ALAILETYRASPPHEGLNILEASNASPLYS
14   PHELYSPROTYRILEGLYALAARGVALALA
15   TYRGLYHISVALARGHISSERILEASPSER
16   THRLYSLYSTHRILEGLUVALTHRTHRVAL
17   PROSERASNALAPROASNGLYALAVALTHR
18   THRTYRASNTHRASPPROLYSTHRGLNASN
19   ASPTYRGLNSERASNSERILEARGARGVAL
20   GLYLEUGLYVALILEALAGLYVALGLYPHE
21   ASPILETHRPROLYSLEUTHRLEUASPALA
22   GLYTYRARGTYRHISASNTRPGLYARGLEU
23   GLUASNTHRARGPHELYSTHRHISGLUALA
24   SERLEUGLYVALARGTYRARGPHE

Samples:

sample_1: OPA60, [U-100% 13C; U-100% 15N; U-80% 2H], 800 ± 100 uM; Dodecyl Phosphcholine 150 ± 10 mM; sodium phosphate 20 mM; sodium chloride 150 mM

sample_conditions_1: temperature: 313 K; pH: 6.2; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

X-PLOR_NIH v2.31, Schwieters, Kuszewski, Tjandra and Clore - structure solution

CARA v1.8.4.2, Keller and Wuthrich - chemical shift assignment

GROMACS v4.5, Lindahl - refinement

NMRPipe v7.9, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

TOPSPIN v3.0, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
EMBL CAA43121 CAA79372
GB AGU84980
REF WP_017147145
SP Q04884