BMRB Entry 7407

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7407

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Title:
Backbone 1H, 13C, and 15N Chemical Shift Assignments for MxiD in complex with MxiM
Deposition date:
2007-09-27
Original release date:
2008-10-31
Authors:
Okon, Mark; Lario, Paula; Creagh, Louise; Jung, Young; Maurelli, Anthony; Strynadka, Natalie; McIntosh, Lawrence
Citation:

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).
PubMed: 18940609

Assembly members:

Assembly members:
MxiD(525-570), polymer, 50 residues, 5500 Da.
MxiM(28-142), polymer, 115 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MxiD(525-570): GSHMKESSYYNTAEYKSLIS EREIQKTTQIIPSETTLLED EKSLVSYLNY
MxiM(28-142): SSSNSEKEWHIVPVSKDYFS IPNDLLWSFNTTNKSINVYS KCISGKAVYSFNAGKFMGNF NVKEVDGCFMDAQKIAIDKL FSMLKDGVVLKGNKINDTIL IEKDGEVKLKLIRGI

Data sets:
Data typeCount
13C chemical shifts76
15N chemical shifts37
1H chemical shifts37

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MxiD(525-570)1
2MxiM(28-142)2

Entities:

Entity 1, MxiD(525-570) 50 residues - 5500 Da.

Residues 1-4 represent a non-native tag

1   GLYSERHISMETLYSGLUSERSERTYRTYR
2   ASNTHRALAGLUTYRLYSSERLEUILESER
3   GLUARGGLUILEGLNLYSTHRTHRGLNILE
4   ILEPROSERGLUTHRTHRLEULEUGLUASP
5   GLULYSSERLEUVALSERTYRLEUASNTYR

Entity 2, MxiM(28-142) 115 residues - Formula weight is not available

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

Samples:

sample_1: MxiD(525-570), [U-95% 13C; U-95% 15N], 0.2 - 0.3 mM; MxiM(28-142) 0.2 - 0.3 mM; HEPES 20 mM; dodecylmaltosid 0.5 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 20 mM; pH: 7.5; pressure: 1 atm; temperature: 301 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

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

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

NMR spectrometers:

  • Varian Unity 500 MHz
  • Varian INOVA 600 MHz

Related Database Links:

BMRB 15497 15503 15504
DBJ BAA09154 BAA09152
EMBL CAA47644 CAC05820 CAC05818
GB AAK18464 AAL72331 AAP79008 AAZ91127 ABB64696 AAA26534 AAK18462 AAL72325 AAP79006 AAZ91125
REF NP_085308 NP_858278 WP_000714355 WP_000714356 WP_000714357 NP_085306 NP_858276 WP_001346200 WP_010921672 WP_039064510
SP Q04641 Q55293 P0A1X2 P0A1X3
PDB
AlphaFold Q04641 Q55293 P0A1X2 P0A1X3

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks