BMRB Entry 18576

Title:
Griffithsin assignment
Deposition date:
2012-07-05
Original release date:
2012-08-21
Authors:
Xue, Jie; Gao, Yongguang; LiWang, Patricia
Citation:

Citation: Xue, Jie; Gao, Yongguang; Hoorelbeke, Bart; Kagiampakis, Ioannis; Zhao, Bo; Demeler, Borries; Balzarini, Jan; Liwang, Patricia. "The role of individual carbohydrate-binding sites in the function of the potent anti-HIV lectin griffithsin."  Mol. Pharm. 9, 2613-2625 (2012).
PubMed: 22827601

Assembly members:

Assembly members:
GRFT, polymer, 140 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Red algae   Taxonomy ID: 35158   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET 15b

Data sets:
Data typeCount
13C chemical shifts244
15N chemical shifts107
1H chemical shifts107

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Griffithsin (GRFT)1

Entities:

Entity 1, Griffithsin (GRFT) 140 residues - Formula weight is not available

1   METGLYGLYSERSERHISHISHISHISHIS
2   HISSERSERGLYLEUVALPROARGGLYSER
3   LEUTHRHISARGLYSPHEGLYGLYSERGLY
4   GLYSERPROPHESERGLYLEUSERSERILE
5   ALAVALARGSERGLYSERTYRLEUASPALA
6   ILEILEILEASPGLYVALHISHISGLYGLY
7   SERGLYGLYASNLEUSERPROTHRPHETHR
8   PHEGLYSERGLYGLUTYRILESERASNMET
9   THRILEARGSERGLYASPTYRILEASPASN
10   ILESERPHEGLUTHRASNMETGLYARGARG
11   PHEGLYPROTYRGLYGLYSERGLYGLYSER
12   ALAASNTHRLEUSERASNVALLYSVALILE
13   GLNILEASNGLYSERALAGLYASPTYRLEU
14   ASPSERLEUASPILETYRTYRGLUGLNTYR

Samples:

GRFT_in_20_mM_sodium_phosphate_pH_7: Griffithsin, [U-100% 13C; U-100% 15N], 50 – 100 uM; sodium phosphate 20 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 104 mM; pH: 7; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCGRFT_in_20_mM_sodium_phosphate_pH_7isotropicsample_conditions_1
3D CBCA(CO)NHGRFT_in_20_mM_sodium_phosphate_pH_7isotropicsample_conditions_1
3D HN(CO)CAGRFT_in_20_mM_sodium_phosphate_pH_7isotropicsample_conditions_1
3D HNCAGRFT_in_20_mM_sodium_phosphate_pH_7isotropicsample_conditions_1
3D HNCOGRFT_in_20_mM_sodium_phosphate_pH_7isotropicsample_conditions_1
3D HN(CA)COGRFT_in_20_mM_sodium_phosphate_pH_7isotropicsample_conditions_1
3D HNCACBGRFT_in_20_mM_sodium_phosphate_pH_7isotropicsample_conditions_1

Software:

SPARKY_NMR_view_PIPP, Garrett, Goddard, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 18585
PDB
GB AAW66484 AAW66485 ACM42413
SP P84801
AlphaFold P84801

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