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 15504

Title: Structural characterization of the type III pilotin-secretin interaction in Shigella flexneri by NMR spectroscopy   PubMed: 18940609

Authors: Okon, Mark; Lario, Paula; Creagh, Louise; Jung, Young; Maurelli, Anthony; Strynadka, Natalie; McIntosh, Lawrence

Citation: Okon, Mark; Moraea, Trevor; Lario, Paula; Creagh, Louise; Haynes, Charles; Strynadka, Natalie; McIntosh, Lawrence. "Structural characterization of the type-III pilot-secretin complex from Shigella flexneri"  Structure 16, 1544-1554 (2008).

Assembly members:
MxiM(28-142), polymer, 115 residues, 12650 Da.
MxiD(553-570), polymer, 19 residues, 2020 Da.

Natural source:   Common Name: Shigella flexneri   Taxonomy ID: 623   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Shigella flexneri

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

Entity Sequences (FASTA):
MxiM(28-142): SSSNSEKEWHIVPVSKDYFS IPNDLLWSFNTTNKSINVYS KCISGKAVYSFNAGKFMGNF NVKEVDGCFMDAQKIAIDKL FSMLKDGVVLKGNKINDTIL IEKDGEVKLKLIRGI
MxiD(553-570): SETTLLEDEKSLVSYLNYX

Data sets:
Data typeCount
13C chemical shifts508
15N chemical shifts116
1H chemical shifts937

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MxiM(28-142)1
2MxiD(553-570)2

Entities:

Entity 1, MxiM(28-142) 115 residues - 12650 Da.

1   SERSERSERASNSERGLULYSGLUTRPHIS
2   ILEVALPROVALSERLYSASPTYRPHESER
3   ILEPROASNASPLEULEUTRPSERPHEASN
4   THRTHRASNLYSSERILEASNVALTYRSER
5   LYSCYSILESERGLYLYSALAVALTYRSER
6   PHEASNALAGLYLYSPHEMETGLYASNPHE
7   ASNVALLYSGLUVALASPGLYCYSPHEMET
8   ASPALAGLNLYSILEALAILEASPLYSLEU
9   PHESERMETLEULYSASPGLYVALVALLEU
10   LYSGLYASNLYSILEASNASPTHRILELEU
11   ILEGLULYSASPGLYGLUVALLYSLEULYS
12   LEUILEARGGLYILE

Entity 2, MxiD(553-570) 19 residues - 2020 Da.

N-end residue is ACE

1   SERGLUTHRTHRLEULEUGLUASPGLULYS
2   SERLEUVALSERTYRLEUASNTYRACE

Samples:

sample_1: MxiM(28-142), [U-95% 13C; U-95% 15N], 0.3 - 0.5 mM; MxiD(553-570) 0.5 - 0.7 mM; HEPES 20 mM; dodecylmaltosid 0.5 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
13C/15N_F1,F2-filtered_NOESYsample_1isotropicsample_conditions_1
13C/15N_F1,F2-filtered_TOCSYsample_1isotropicsample_conditions_1

Software:

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

NMRView vnmrview5.0.4.linux, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 15503 15497 7407
PDB
DBJ BAA09152 BAA09154
EMBL CAC05818 CEP57531 CSE38496 CSE96731 CSF42817 CAA47644 CAC05820
GB AAA26534 AAK18462 AAL72325 AAP79006 AAZ91125 AAK18464 AAL72331 AAP79008 AAZ91127 ABB64696
REF NP_085306 NP_858276 WP_001346200 WP_010921672 WP_039064510 NP_085308 NP_858278 WP_000714355 WP_000714356 WP_000714357
SP P0A1X2 P0A1X3 Q04641 Q55293