BMRB Entry 30908

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30908
MolProbity Validation Chart

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Title:
Solution NMR structure of the XVIPCD region from the T4SS effector X-Tfe(XAC2609) from Xanthomonas citri
Deposition date:
2021-05-14
Original release date:
2021-12-17
Authors:
Oka, G.; Salinas, R.; Farah, C.
Citation:

Citation: Oka, Gabriel; Souza, Diorge; Cenens, William; Matsuyama, Bruno; Cardoso, Marcus; Oliveira, Luciana; Lima, Filipe; Cuccovia, Iolanda; Guzzo, Cristiane; Salinas, Roberto; Farah, Chuck. "Structural basis for effector recognition by an antibacterial type IV secretion system"  Proc. Natl. Acad. Sci. U. S. A. 119, e2112529119-e2112529119 (2022).
PubMed: 34983846

Assembly members:

Assembly members:
entity_1, polymer, 105 residues, 11480.569 Da.

Natural source:

Natural source:   Common Name: Xanthomonas citri   Taxonomy ID: 190486   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Xanthomonas citri

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)   Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMSDPRHPDNAMYNGAVS KLEALGERGGFANRKELEQA AGQIVFESKVSGLQRIDHVV PNKSGDGFFAVQGELTDPAM QRVFVDRNQAQNQPLENSSR QAAEE

Data typeCount
13C chemical shifts355
15N chemical shifts87
1H chemical shifts522

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 105 residues - 11480.569 Da.

1   GLYSERHISMETSERASPPROARGHISPRO
2   ASPASNALAMETTYRASNGLYALAVALSER
3   LYSLEUGLUALALEUGLYGLUARGGLYGLY
4   PHEALAASNARGLYSGLULEUGLUGLNALA
5   ALAGLYGLNILEVALPHEGLUSERLYSVAL
6   SERGLYLEUGLNARGILEASPHISVALVAL
7   PROASNLYSSERGLYASPGLYPHEPHEALA
8   VALGLNGLYGLULEUTHRASPPROALAMET
9   GLNARGVALPHEVALASPARGASNGLNALA
10   GLNASNGLNPROLEUGLUASNSERSERARG
11   GLNALAALAGLUGLU

Samples:

sample_1: XAC2609(311-411), [U-100% 13C; U-100% 15N], 1.5 mM; TRIS 20 mM; sodium chloride 100 mM; glycerol 0.1 % v/v; sodium azide 0.05 % w/v

sample_conditions_1: ionic strength: 100 mM; pH: 8.0; pressure: 1016 mbar; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1anisotropicsample_conditions_1
3D CBCA(CO)NHsample_1anisotropicsample_conditions_1
3D HNCAsample_1anisotropicsample_conditions_1
3D HN(CO)CAsample_1anisotropicsample_conditions_1
3D HNCOsample_1anisotropicsample_conditions_1
HN(CA)COsample_1anisotropicsample_conditions_1
3D-(H)CCHsample_1isotropicsample_conditions_1
3D-H(C)CHsample_1anisotropicsample_conditions_1
3D HCCH-TOCSYsample_1anisotropicsample_conditions_1
3D HCCH-TOCSYsample_1anisotropicsample_conditions_1
3D 15N NOESY-HSQCsample_1anisotropicsample_conditions_1
3D 13C NOESY-HSQCsample_1anisotropicsample_conditions_1
2D 1H-1H NOESYsample_1anisotropicsample_conditions_1
2D AROMATIC 13C NOESY-HSQCsample_1anisotropicsample_conditions_1
3D (D2O) H(C)CH-TOCSYsample_1anisotropicsample_conditions_1
3D (D2O) (H)CCH-TOCSYsample_1anisotropicsample_conditions_1
3D (D2O) 13C NOESY-HSQCsample_1anisotropicsample_conditions_1
3D (D2) 15N NOESY-HSQCsample_1anisotropicsample_conditions_1
2D 1H-13C HSQCsample_1anisotropicsample_conditions_1
2D 1H-15N HSQCsample_1anisotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis v2.3, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

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