BMRB Entry 4909

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4909

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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:

Assignment of 1H, 15N and 13C resonances of the carbohydrate recognition domain of human galectiin-3

Deposition date:

2000-12-05

Original release date:

2001-05-17

Authors:

Umemoto, Kimiko; Leffler, Hakon

Citation:

Citation: Umemoto, Kimiko; Leffler, Hakon. "Letter to the Editor: Assignment of 1H, 15N and 13C resonances of the carbohydrate recognition domain of human galectin-3" J. Biomol. NMR 20, 91-92 (2001).

Assembly members:

Assembly members:
galectin-3, polymer, 143 residues, Formula weight is not available
LAT, non-polymer, 342.296 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3C

Entity Sequences (FASTA):

Entity Sequences (FASTA):
galectin-3: GAPAGPLIVPYNLPLPGGVV PRMLITILGTVKPNANRIAL DFQRGNDVAFHFNPRFNENN RRVIVCNTKLDNNWGREERQ SVFPFESGKPFKIQVLVEPD HFKVAVNDAHLLQYNHRVKK LNEISKLGISGDIDLTSASY TMI

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
1H chemical shifts	836
13C chemical shifts	275
15N chemical shifts	124

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C-terminal fragment of galectin-3	1
2	lactose	2

Entities:

Entity 1, C-terminal fragment of galectin-3 143 residues - Formula weight is not available

1

GLY

ALA

PRO

ALA

GLY

PRO

LEU

ILE

VAL

PRO

2

TYR

ASN

LEU

PRO

LEU

PRO

GLY

VAL

3

PRO

ARG

MET

LEU

ILE

THR

ILE

LEU

GLY

THR

4

VAL

LYS

PRO

ASN

ALA

ASN

ARG

ILE

ALA

LEU

5

ASP

PHE

GLN

ARG

GLY

ASN

ASP

VAL

ALA

PHE

6

HIS

PHE

ASN

PRO

ARG

PHE

ASN

GLU

ASN

7

ARG

VAL

ILE

VAL

CYS

ASN

THR

LYS

LEU

8

ASP

ASN

TRP

GLY

ARG

GLU

ARG

GLN

9

SER

VAL

PHE

PRO

PHE

GLU

SER

GLY

LYS

PRO

10

PHE

LYS

ILE

GLN

VAL

LEU

VAL

GLU

PRO

ASP

11

HIS

PHE

LYS

VAL

ALA

VAL

ASN

ASP

ALA

HIS

12

LEU

GLN

TYR

ASN

HIS

ARG

VAL

LYS

13

LEU

ASN

GLU

ILE

SER

LYS

LEU

GLY

ILE

SER

14

GLY

ASP

ILE

ASP

LEU

THR

SER

ALA

SER

TYR

15

THR

MET

ILE

Entity 2, lactose - C12 H22 O11 - 342.296 Da.

1

LAT

Samples:

sample_1: galectin-3, [U-99% 13C; U-99% 15N], 0.5 mM; LACTOSE 10 mM; potassium phosphate 5 mM

Ex-cond_1: pH: 7.4; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N HSQC	sample_1	not available	Ex-cond_1
HNCACB	sample_1	not available	Ex-cond_1
CBCA(CO)NH	sample_1	not available	Ex-cond_1
HCCH-TOCSY	sample_1	not available	Ex-cond_1
HCC-TOCSY	sample_1	not available	Ex-cond_1
CN-NOESY-HSQC	sample_1	not available	Ex-cond_1

Software:

No software information available

NMR spectrometers:

Varian UNITYplus 500 MHz

BMRB	15705 19491 7422
PDB	1A3K 1KJL 1KJR 2NMN 2NMO 2NN8 2XG3 3AYA 3AYC 3AYD 3AYE 3T1L 3T1M 3ZSJ 3ZSK 3ZSL 3ZSM 4BLI 4BLJ 4BM8 4JC1 4JCK 4LBJ 4LBK 4LBL 4LBM 4LBN 4LBO
DBJ	BAA22164 BAD92628 BAG37435 BAI46476
EMBL	CAD61918 CAG33178 CAG46894
GB	AAA35607 AAA36163 AAA88086 AAB26229 AAB86584
REF	NP_002297 XP_001148424 XP_002824813 XP_003831735 XP_004055252
SP	P17931
AlphaFold	P17931