BMRB Entry 30664

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30664
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Solution NMR Structure Of The I24N-delta10-ngMinE Protein From Neisseria gonorrheae
Deposition date:
2019-08-30
Original release date:
2020-07-05
Authors:
Cai, M.; Shen, Y.; Clore, M.
Citation:

Citation: Cai, Mengli; Huang, Ying; Shen, Yang; Li, Min; Mizuuchi, Michiyo; Ghirlando, Rodolfo; Mizuuchi, Kiyoshi; Clore, G Marius. "Probing transient excited states of the bacterial cell division regulator MinE by relaxation dispersion NMR spectroscopy"  Proc Natl Acad Sci U S A 116, 25446-25455 (2019).
PubMed: 31772021

Assembly members:

Assembly members:
entity_1, polymer, 85 residues, 9963.371 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KQKTATVARDRLQIIIAQER AQEGQTPDYLPTLRKELMEV LSKYVNVSLDNIRISQEKQD GMDVLELNITLPEQKKVLEH HHHHH

Data sets:
Data typeCount
13C chemical shifts144
15N chemical shifts46
1H chemical shifts87

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, 11
2entity_1, 21

Entities:

Entity 1, entity_1, 1 85 residues - 9963.371 Da.

1   LYSGLNLYSTHRALATHRVALALAARGASP
2   ARGLEUGLNILEILEILEALAGLNGLUARG
3   ALAGLNGLUGLYGLNTHRPROASPTYRLEU
4   PROTHRLEUARGLYSGLULEUMETGLUVAL
5   LEUSERLYSTYRVALASNVALSERLEUASP
6   ASNILEARGILESERGLNGLULYSGLNASP
7   GLYMETASPVALLEUGLULEUASNILETHR
8   LEUPROGLUGLNLYSLYSVALLEUGLUHIS
9   HISHISHISHISHIS

Samples:

sample_1: MinE-d30-I24N, [U-13C; U-15N], 1 mM; potassium phosphate 25 mM; EDTA 0.5 mM; benzamidine chloride 0.1 mM

sample_2: MinE-d30-I24N-RDC, [U-2H; U-15N], 1 mM; MinE-d30-I24N-CPMG, [U-2H; U-15N], 1 mM

sample_3: MinE-d30, [U-13C; U-15N], 1 mM; potassium phosphate 25 mM; EDTA 0.5 mM; benzamidine chloride 0.1 mM

sample_4: MinE-d30-RDC, [U-2H; U-15N], 1 mM; MinE-d30-CPMG, [U-2H; U-15N], 1 mM

sample_conditions_1: ionic strength: 25 mM; pH: 6.5; pressure: 1 bar; temperature: 298 K

sample_conditions_2: ionic strength: 200 mM; pH: 6.5; pressure: 1 bar; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HBHA(CBCACO)NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_3isotropicsample_conditions_1
3D HNCACBsample_3isotropicsample_conditions_1
3D HNCOsample_3isotropicsample_conditions_1
3D HBHA(CBCACO)NHsample_3isotropicsample_conditions_1
HSQC IPAPsample_2anisotropicsample_conditions_2
HSQC IPAPsample_2isotropicsample_conditions_2
HSQC IPAPsample_4anisotropicsample_conditions_2
HSQC IPAPsample_4isotropicsample_conditions_2

Software:

PIPP, Garrett - chemical shift assignment, peak picking

CS-ROSETTA, Shen, Vernon, Baker and Bax - refinement, structure calculation

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

NMR spectrometers:

  • Bruker AVANCE 500 MHz
  • Bruker AVANCE 600 MHz
  • Bruker AVANCE 800 MHz

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