BMRB Entry 34929

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34929

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Title:
NMR solution structure of the Thermus thermophilus PilF-GSPIIA domain
Deposition date:
2024-07-10
Original release date:
2025-05-23
Authors:
Neissner, K.; Woehnert, J.; Hacker, C.
Citation:

Citation: Neissner, Konstantin; Frohnapfel, Carolin; Keller, Heiko; Duchardt-Ferner, Elke; Schneider, Vanessa; Kamjou, Zeinab; Averhoff, Beate; Wohnert, Jens. "NMR Solution Structure of the N-Terminal GSPII Domain from the Thermus Thermophilus Traffic ATPase PilF and Reconstruction of its c-di-GMP Binding Capability"  Chembiochem 26, e202400959-e202400959 (2025).
PubMed: 39960869

Assembly members:

Assembly members:
entity_1, polymer, 154 residues, 16924.604 Da.

Natural source:

Natural source:   Common Name: Thermus thermophilus HB27   Taxonomy ID: 262724   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Thermus thermophilus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MSVLTIGDKRLGAALLDAGL LTDEELQRALERHREVGGSL AEVLVDMGLLSERRIAQTIE DRFGIPLVELHRVEIPPKVK ALLPAEKAKELKAIPFALDE EAGVVRVAFLNPLDTLSLEE VEDLTGLVVEPYQTTKSAFL YALAKHYPELGLPV

Data sets:
Data typeCount
13C chemical shifts698
15N chemical shifts149
1H chemical shifts1137

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 154 residues - 16924.604 Da.

1   METSERVALLEUTHRILEGLYASPLYSARG
2   LEUGLYALAALALEULEUASPALAGLYLEU
3   LEUTHRASPGLUGLULEUGLNARGALALEU
4   GLUARGHISARGGLUVALGLYGLYSERLEU
5   ALAGLUVALLEUVALASPMETGLYLEULEU
6   SERGLUARGARGILEALAGLNTHRILEGLU
7   ASPARGPHEGLYILEPROLEUVALGLULEU
8   HISARGVALGLUILEPROPROLYSVALLYS
9   ALALEULEUPROALAGLULYSALALYSGLU
10   LEULYSALAILEPROPHEALALEUASPGLU
11   GLUALAGLYVALVALARGVALALAPHELEU
12   ASNPROLEUASPTHRLEUSERLEUGLUGLU
13   VALGLUASPLEUTHRGLYLEUVALVALGLU
14   PROTYRGLNTHRTHRLYSSERALAPHELEU
15   TYRALALEUALALYSHISTYRPROGLULEU
16   GLYLEUPROVAL

Samples:

sample_1: PilF1-154, [U-13C; U-15N], 438 uM; NaCl 200 mM

sample_2: PilF1-154, [U-100% 15N], 500 uM; NaCl 200 mM

sample_3: PilF1-154, [U-100% 15N], 550 uM; NaCl 200 mM

sample_4: PilF1-154, [U-15N]-Leu/Val-13C, 608 uM; NaCl 200 mM

sample_5: PilF1-154, [U-13C; U-15N], 335 uM; NaCl 200 mM

sample_conditions_1: ionic strength: 200 mM; pH: 5.8; pressure: 1 atm; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_5isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_5isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_3isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_3isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_4isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

CARA v1.8.4.2, Keller and Wuthrich - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CcpNmr Analysis, CCPN - peak picking

TopSpin, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AVANCE II 600 MHz
  • Bruker AVANCE III 950 MHz
  • Bruker AVANCE NEO 600 MHz
  • Bruker AVANCE III HD 800 MHz

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