BMRB Entry 25238

Name: Solution NMR structure of Human Relaxin-2
Published: 2015-02-02

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PDB ID: 2mv1
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25238
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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:

Solution NMR structure of Human Relaxin-2

Deposition date:

2014-09-19

Original release date:

2015-02-02

Authors:

Haugaard-Kedstrom, Linda; Rosengren, K. Johan

Citation:

Citation: Haugaard-Kedstrom, Linda; Hossain, M. Akhter; Daly, Norelle; Bathgate, Ross; Rinderknecht, Ernst; Wade, John; Craik, David; Rosengren, K. Johan. "Solution Structure, Aggregation Behaviour and Flexibility of Human Relaxin-2" ACS Chem.Biol. 10, 891-900 (2015).
PubMed: 25547165

Assembly members:

Assembly members:
entity_1, polymer, 29 residues, 3315.897 Da.
entity_2, polymer, 24 residues, 2661.184 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DSWMEEVIKLCGRELVRAQI AICGMSTWS
entity_2: XLYSALANKCCHVGCTKRSL ARFC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	87
1H chemical shifts	333

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	2

Entities:

Entity 1, entity_1 29 residues - 3315.897 Da.

1

ASP

SER

TRP

MET

GLU

VAL

ILE

LYS

LEU

2

CYS

GLY

ARG

GLU

LEU

VAL

ARG

ALA

GLN

ILE

3

ALA

ILE

CYS

GLY

MET

SER

THR

TRP

SER

Entity 2, entity_2 24 residues - 2661.184 Da.

1

PCA

LEU

TYR

SER

ALA

LEU

ALA

ASN

LYS

CYS

2

CYS

HIS

VAL

GLY

CYS

THR

LYS

ARG

SER

LEU

3

ALA

ARG

PHE

CYS

Samples:

sample_1: entity_1 1 ± 0.2 mM; entity_2 1 ± 0.2 mM; H2O 90%; D2O 10%

sample_2: entity_1 1 ± 0.2 mM; entity_2 1 ± 0.2 mM; D2O 100%

sample_conditions_1: ionic strength: 0 M; pH: 4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v2.3, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - data analysis, peak picking

CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v2.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Bruker Avance 600 MHz