BMRB Entry 25371

Name: NMR assignments of a novel lectin from sea mussel Crenomytilus grayanus
Published: 2022-05-12

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25371

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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: NMR assignments of a novel lectin from sea mussel Crenomytilus grayanus PubMed: 27010847

Deposition date: 2014-12-01 Original release date: 2022-05-12

Authors: Chien, Chih-Ta Henry; Hsu, Shang-Te Danny

Citation: Liao, Jiahn-Haur; Chien, Chih-Ta Henry; Wu, Han-Ying; Huang, Kai-Fa; Wang, Iren; Ho, Meng-Ru; Tu, I-Fan; Lee, I-Ming; Li, Wei; Shih, Yu-Ling; Wu, Chung-Yi; Lukyanov, Pavel; Hsu, Shang-Te Danny; Wu, Shih-Hsiung. "A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3" J. Am. Chem. Soc. 138, 4787-4795 (2016).

Assembly members:
CG-lectin, polymer, 156 residues, Formula weight is not available

Natural source: Common Name: bivalves Taxonomy ID: 151218 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Crenomytilus grayanus

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21a

Entity Sequences (FASTA):
CG-lectin: MTTFLIKHKASGKFLHPYGG SSNPANNTKLVLHSDIHERM YFQFDVVDERWGYIKHVASG KIVHPYGGQANPPNETNMVL HQDRHDRALFAMDFFNDNIM HKGGKYIHPKGGSPNPPNNT ETVIHGDKHAAMEFIFVSPK NKDKRVLVYAHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	542
15N chemical shifts	147
1H chemical shifts	882

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CGL	1

Entities:

Entity 1, CGL 156 residues - Formula weight is not available

1

MET

THR

PHE

LEU

ILE

LYS

HIS

LYS

ALA

2

SER

GLY

LYS

PHE

LEU

HIS

PRO

TYR

GLY

3

SER

ASN

PRO

ALA

ASN

THR

LYS

LEU

4

VAL

LEU

HIS

SER

ASP

ILE

HIS

GLU

ARG

MET

5

TYR

PHE

GLN

PHE

ASP

VAL

ASP

GLU

ARG

6

TRP

GLY

TYR

ILE

LYS

HIS

VAL

ALA

SER

GLY

7

LYS

ILE

VAL

HIS

PRO

TYR

GLY

GLN

ALA

8

ASN

PRO

ASN

GLU

THR

ASN

MET

VAL

LEU

9

HIS

GLN

ASP

ARG

HIS

ASP

ARG

ALA

LEU

PHE

10

ALA

MET

ASP

PHE

ASN

ASP

ASN

ILE

MET

11

HIS

LYS

GLY

LYS

TYR

ILE

HIS

PRO

LYS

12

GLY

SER

PRO

ASN

PRO

ASN

THR

13

GLU

THR

VAL

ILE

HIS

GLY

ASP

LYS

HIS

ALA

14

ALA

MET

GLU

PHE

ILE

PHE

VAL

SER

PRO

LYS

15

ASN

LYS

ASP

LYS

ARG

VAL

LEU

VAL

TYR

ALA

16

HIS

Samples:

sample_1: CG-lectin, [U-100% 13C; U-100% 15N], 400 uM; H20 90%; D2O 10%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCACO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

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

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

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