BMRB Entry 18576

Name: Griffithsin assignment
Published: 2012-08-21

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18576

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Griffithsin assignment PubMed: 22827601

Deposition date: 2012-07-05 Original release date: 2012-08-21

Authors: Xue, Jie; Gao, Yongguang; LiWang, Patricia

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).

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

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

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

Entity Sequences (FASTA):
GRFT: MGGSSHHHHHHSSGLVPRGS LTHRKFGGSGGSPFSGLSSI AVRSGSYLDAIIIDGVHHGG SGGNLSPTFTFGSGEYISNM TIRSGDYIDNISFETNMGRR FGPYGGSGGSANTLSNVKVI QINGSAGDYLDSLDIYYEQY

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	244
15N chemical shifts	107
1H chemical shifts	107

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Griffithsin (GRFT)	1

Entities:

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

1	MET	GLY	GLY	SER	SER	HIS	HIS	HIS	HIS	HIS
2	HIS	SER	SER	GLY	LEU	VAL	PRO	ARG	GLY	SER
3	LEU	THR	HIS	ARG	LYS	PHE	GLY	GLY	SER	GLY
4	GLY	SER	PRO	PHE	SER	GLY	LEU	SER	SER	ILE
5	ALA	VAL	ARG	SER	GLY	SER	TYR	LEU	ASP	ALA
6	ILE	ILE	ILE	ASP	GLY	VAL	HIS	HIS	GLY	GLY
7	SER	GLY	GLY	ASN	LEU	SER	PRO	THR	PHE	THR
8	PHE	GLY	SER	GLY	GLU	TYR	ILE	SER	ASN	MET
9	THR	ILE	ARG	SER	GLY	ASP	TYR	ILE	ASP	ASN
10	ILE	SER	PHE	GLU	THR	ASN	MET	GLY	ARG	ARG
11	PHE	GLY	PRO	TYR	GLY	GLY	SER	GLY	GLY	SER
12	ALA	ASN	THR	LEU	SER	ASN	VAL	LYS	VAL	ILE
13	GLN	ILE	ASN	GLY	SER	ALA	GLY	ASP	TYR	LEU
14	ASP	SER	LEU	ASP	ILE	TYR	TYR	GLU	GLN	TYR

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	GRFT_in_20_mM_sodium_phosphate_pH_7	isotropic	sample_conditions_1
3D CBCA(CO)NH	GRFT_in_20_mM_sodium_phosphate_pH_7	isotropic	sample_conditions_1
3D HN(CO)CA	GRFT_in_20_mM_sodium_phosphate_pH_7	isotropic	sample_conditions_1
3D HNCA	GRFT_in_20_mM_sodium_phosphate_pH_7	isotropic	sample_conditions_1
3D HNCO	GRFT_in_20_mM_sodium_phosphate_pH_7	isotropic	sample_conditions_1
3D HN(CA)CO	GRFT_in_20_mM_sodium_phosphate_pH_7	isotropic	sample_conditions_1
3D HNCACB	GRFT_in_20_mM_sodium_phosphate_pH_7	isotropic	sample_conditions_1

Software:

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

NMR spectrometers:

Bruker Avance 600 MHz

BMRB	18585
PDB	2GTY 2GUC 2GUD 2GUE 2GUX 2HYQ 2HYR 2NU5 2NUO 3LKY 3LL2
GB	AAW66484 AAW66485 ACM42413
SP	P84801

Biological Magnetic Resonance Data Bank