BMRB Entry 6070

Name: Solution Structure of Endothelin-1 with its C-terminal Folding
Published: 2004-04-09

Click here to enlarge.

PDB ID: 1v6r
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6070
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Solution Structure of Endothelin-1 with its C-terminal Folding

Deposition date:

2003-01-08

Original release date:

2004-04-09

Authors:

Takashima, Hiroyuki; Mimura, Norio; Ohkubo, Tadayasu; Yoshida, Takuya; Tamaoki, Haruhiko; Kobayashi, Yuji

Citation:

Citation: Takashima, Hiroyuki; Mimura, Norio; Ohkubo, Tadayasu; Yoshida, Takuya; Tamaoki, Haruhiko; Kobayashi, Yuji. "Distributed Computing and NMR Constraint-Based High-Resolution Structure Determination, Applied for Bioactive Peptide Endothelin-1 to Determine C-terminal Folding" J. Am. Chem. Soc. 124, 4504-4505 (2004).
PubMed: 15070353

Assembly members:

Assembly members:
Endothelin-1, polymer, 21 residues, Formula weight is not available

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):
Endothelin-1: CSCSSLMDKECVYFCHLDII W

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	137

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ET-1	1

Entities:

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

1

CYS

SER

CYS

SER

LEU

MET

ASP

LYS

GLU

2

CYS

VAL

TYR

PHE

CYS

HIS

LEU

ASP

ILE

3

TRP

Samples:

sample_1: Endothelin-1 2.5 mM; acetic acid 5%

sample_cond_1: pH: 3; pressure: 1 atm; temperature: 297.7 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	not available	not available	not available
DQF-COSY	not available	not available	not available
2D TOCSY	not available	not available	not available

Software:

XPLOR-NIH v2.0.6 - refinement, structure solution

NMR spectrometers:

Bruker AMX 600 MHz

BMRB	1728 1867 193 194 2262 2263
PDB	1EDN 1EDP 1T7H 1V6R
DBJ	BAA07830 BAA11109 BAB86360 BAC30702 BAD02920
EMBL	CAA30296 CAA36954 CAA37117 CAA42555 CAA68718
GenBank	AAA41129 AAA52338 AAA52339 AAA52407 AAA97608
PRF	1405327A 1904245A 2206384A
REF	NP_001002956 NP_001009810 NP_001090567 NP_001095166 NP_001121271
SWISS-PROT	P05305 P09558 P13206 P17322 P22387