BMRB Entry 4222

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PDB ID: 1mnl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4222
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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:

High-Resolution Solution Structure of a Sweet Protein Single-Chain Monellin (SCM) determined by Nuclear Magnetic Resonance Spectroscopy and Dynamical Simulated Annealing Calculations

Deposition date:

1998-08-06

Original release date:

2000-05-01

Authors:

Lee, Seok-Yong; Lee, Jung-Hoon; Chang, Ho-Jin; Cho, JM; Jung, Jin-Won; Lee, Weontae

Citation:

Citation: Lee, Seok-Yong; Lee, Jung-Hoon; Chang, Ho-Jin; Cho, JM; Jung, Jin-Won; Lee, Weontae. "Solution structure of a sweet protein single-chain monellin determined by nuclear magnetic resonance and dynamical simulated annealing calculations" Biochemistry 38, 2340-2346 (1999).
PubMed: 10029527

Assembly members:

Assembly members:
monellin, polymer, 94 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Serendipity Berry Taxonomy ID: 3457 Superkingdom: Eukaryota Kingdom: not available Genus/species: Dioscoreophyllum cumminsii

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Saccharomyces cerevisiae

Entity Sequences (FASTA):

Entity Sequences (FASTA):
monellin: GEWEIIDIGPFTQNLGKFAV DEENKIGQYGRLTFNKVIRP CMKKTIYENEREIKGYEYQL YVYASDKLFRADISEDYKTR GRKLLRFNGPVPPP

Data sets:

assigned_chemical_shifts
- chem_shift_set_1

Data type	Count
15N chemical shifts	86
1H chemical shifts	513

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	monellin	1

Entities:

Entity 1, monellin 94 residues - Formula weight is not available

1

GLY

GLU

TRP

GLU

ILE

ASP

ILE

GLY

PRO

2

PHE

THR

GLN

ASN

LEU

GLY

LYS

PHE

ALA

VAL

3

ASP

GLU

ASN

LYS

ILE

GLY

GLN

TYR

GLY

4

ARG

LEU

THR

PHE

ASN

LYS

VAL

ILE

ARG

PRO

5

CYS

MET

LYS

THR

ILE

TYR

GLU

ASN

GLU

6

ARG

GLU

ILE

LYS

GLY

TYR

GLU

TYR

GLN

LEU

7

TYR

VAL

TYR

ALA

SER

ASP

LYS

LEU

PHE

ARG

8

ALA

ASP

ILE

SER

GLU

ASP

TYR

LYS

THR

ARG

9

GLY

ARG

LYS

LEU

ARG

PHE

ASN

GLY

PRO

10

VAL

PRO

Samples:

sample_1: monellin mM

sample_cond_1: pH: 7.0; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
TOCSY	sample_1	not available	sample_cond_1
NOESY	sample_1	not available	sample_cond_1
DQF-COSY	sample_1	not available	sample_cond_1
1H-15N HSQC	sample_1	not available	sample_cond_1
1H-15N HMQC-J	sample_1	not available	sample_cond_1
1H-15N NOESY-HSQC	sample_1	not available	sample_cond_1
1H-15N HOHAHA-HMQC	sample_1	not available	sample_cond_1

Software:

No software information available

NMR spectrometers:

Bruker DMX 600 MHz

BMRB	4638
PDB	1FA3 1FUW 1IV7 1KRL 1MNL 1MOL 2O9U 3MON 4MON
GB	AAG21344 AFF58925
PRF	761801B
SP	P02882
AlphaFold	P02882