BMRB Entry 25372

Title:
Solution Structure of the Mediator Gall11 KIX Domain of C. Glabrata
Deposition date:
2014-12-01
Original release date:
2015-12-07
Authors:
Boeszoermenyi, Andras; Arthanari, Haribabu; Wagner, Gerhard; Anders, A.; Artha, H.
Citation:

Citation: Nishikawa, J.; Boeszoermenyi, Andras; Vale, S.; Sohn, Y.; Sanglard, D.; Sangiunetti, M.; Gelev, V.; Buhrlage, S.; Gray, N.; Wagner, Gerhard; Naar, Anders; Arthanari, Haribabu. "Inhibiting fungal multidrug resistance by disrupting an activator-Mediator interaction"  Nature 530, 485-489 (2016).

Assembly members:

Assembly members:
CG_KIX, polymer, 86 residues, 9731.1377 Da.

Natural source:

Natural source:   Common Name: Candida glabrata   Taxonomy ID: 5478   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Candida glabrata

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: ESCHERICHIA COLI   Vector: pET24b

Entity Sequences (FASTA):

Data typeCount
13C chemical shifts459
15N chemical shifts164
1H chemical shifts1357

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CG KIX1

Entities:

Entity 1, CG KIX 86 residues - 9731.1377 Da.

1   METSERSERLYSGLUTHRILEPROMETHIS
2   GLNARGSERGLNASNVALALAGLULEULEU
3   THRVALLEUMETASPILEASNLYSILEASN
4   GLYGLYASPSERTHRTHRALAGLULYSMET
5   LYSVALHISALALYSSERPHEGLUALAALA
6   LEUPHEGLULYSSERSERSERLYSGLUGLU
7   TYRGLNLYSTHRMETLYSSERLYSILEASP
8   ALAMETARGSERTHRARGASPLYSARGLYS
9   ARGGLUSERVALGLYSER

Samples:

sample_new_1: CG_KIX, [U-13C; U-15N], 1 mM; sodium phosphate 10 mM; potassium phosphate 2 mM; sodium chloride 137 mM; potassium chloride 2.7 mM; EDTA 1 mM

CG_KIX_15N: CG_KIX, [U-15N], 0.7 mM; sodium phosphate 10 mM; potassium phosphate 2 mM; sodium chloride 137 mM; potassium chloride 2.7 mM; EDTA 1 mM

CG_KIX_13C15N: CG_KIX, [U-99% 13C; U-99% 15N], 0.7 mM; sodium phosphate 10 mM; potassium phosphate 2 mM; sodium chloride 137 mM; potassium chloride 2.7 mM; EDTA 1 mM

CG_KIX_ILV: CG_KIX, [U-13C; U-15N]-ILV, 0.7 mM; sodium phosphate 10 mM; potassium phosphate 2 mM; sodium chloride 137 mM; potassium chloride 2.7 mM; EDTA 1 mM

sample_conditions_1: ionic strength: 150.000 mM; pH: 6.500; pressure: 1.000 atm; temperature: 298.150 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC/HMQCCG_KIX_15Nisotropicsample_conditions_1
3D 1H-15N NOESYCG_KIX_15Nisotropicsample_conditions_1
2D 1H-13C HSQC/HMQCCG_KIX_13C15Nisotropicsample_conditions_1
3D 1H-13C NOESYCG_KIX_13C15Nisotropicsample_conditions_1
2D 1H-13C HSQC/HMQCCG_KIX_ILVisotropicsample_conditions_1
CG_15NHSQCsample_new_1solutionsample_conditions_1
15NNOESYsample_new_1solutionsample_conditions_1
13CHSQC_ ANOESYsample_new_1solutionsample_conditions_1

Software:

AMBER vany, I. BERTINI, D.A. CASE, L. FERELLA, A. GIACHETTI,A. ROSATO - Waterbox refinement

AutoDep v4.3, PDBe - collection

CYANA v3.0, Guntert, Mumenthaler, and Wuthrich - Simulated Annealing

CcpNmr_Analysis v2.4, CCPN - Spectrum analysis, peak integration, distance restraint calibration

CcpNmr_Entry_Completion_Interface v2.1, PDBe & CCPN - data deposition

NMRDraw vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMRPipe vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

TALOS+ v1.2009.0605.17, Shen, Cornilescu, Delaglio, and Bax - Prediction of dihedral angle restraints

TALOSPLUS_1 v2009.0605.17, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 900 MHz
  • Varian dd2 700 MHz
  • Bruker Avance 800 MHz
  • Bruker AVANCE 600 MHz
  • Varian UNITYINOVA 900 MHz

Related Database Links:

PDB
UNP MED15_CANGA
AlphaFold Q6FRS9

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