BMRB Entry 6085

Name: Solution Structure of hybrid white striped bass hepcidin
Published: 2005-02-15

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PDB ID: 1s6w
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6085
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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 Structure of hybrid white striped bass hepcidin

Deposition date:

2004-01-28

Original release date:

2005-02-15

Authors:

Babon, Jeff; Singh, Satenda; Westerman, Mark; Pennington, Mike; Norton, Raymond

Citation:

Citation: Lauth, X.; Babon, Jeff; Stannard, J.; Singh, Satenda; Nizet, V.; Carlberg, J.; Ostland, V.; Pennington, M.; Norton, R.; Westerman, Mark. "Bass hepcidin: Synthesis, solution structure, antimicrobial activities and synergism, and in vivo hepatic response to bacterial infections" J. Biol. Chem. 280, 9272-9282 (2005).
PubMed: 15546886

Assembly members:

Assembly members:
hepcidin, polymer, 21 residues, Formula weight is not available

Natural source:

Natural source: Common Name: hybrid white striped bass Taxonomy ID: 45352 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Morone chrysops x saxatilis

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
hepcidin: GCRFCCNCCPNMSGCGVCCR F

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
13C chemical shifts	59
15N chemical shifts	9
1H chemical shifts	113

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	hepcidin	1

Entities:

Entity 1, hepcidin 21 residues - Formula weight is not available

1

GLY

CYS

ARG

PHE

CYS

ASN

CYS

PRO

2

ASN

MET

SER

GLY

CYS

GLY

VAL

CYS

ARG

3

PHE

Samples:

sample_1: hepcidin3 – 4 mM

condition_1: ionic strength: 0 mM; pH: 4.7; temperature: 298 K

condition_2: ionic strength: 0.01 mM; pH: 4.3; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-1H TOCSY	not available	not available	not available
1H-1H NOESY	not available	not available	not available
DQF-COSY	not available	not available	not available
E-COSY	not available	not available	not available
15N-1H HSQC	not available	not available	not available
13C-1H HSQC	not available	not available	not available

Software:

xwinnmr -

xeasy -

nmrpipe -

x-plor-NIH -

NMR spectrometers:

Bruker Avance 500 MHz
Bruker DRX 600 MHz

PDB	1S6W
GenBank	AAM28439 AAM28440 AAZ85124
SWISS-PROT	P82951