BMRB Entry 15405

Name: The NMR Solution Structure of Recombinant RGD-hirudin
Published: 2008-03-13

Click here to enlarge.

PDB ID: 2joo
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15405
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:

The NMR Solution Structure of Recombinant RGD-hirudin

Deposition date:

2007-07-25

Original release date:

2008-03-13

Authors:

Song, Xia; Mo, Wei; Liu, Xingang; Yan, Xiaomin; Song, Houyan; Dai, Linsen

Citation:

Citation: Song, Xia; Mo, Wei; Zhu, Lina; Liu, Xingang; Yan, Xiaomin; Song, Houyan; Dai, Linsen. "The NMR Solution Structure of Recombinant RGD-hirudin" Biochem. Biophys. Res. Commun. 360, 103-108 (2007).
PubMed: 17585879

Assembly members:

Assembly members:
RGD-hirudin, polymer, 66 residues, 5323.929 Da.

Natural source:

Natural source: Common Name: Hirudo medicinalis Taxonomy ID: 6421 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Hirudo medicinalis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Pichia pastoris Vector: not applicable

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RGD-hirudin: VVYTDCTESGQNLCLCEGSN VCGQGNKCILGRGDSKNQCV TGEGTPKPQSHNQGDFEPIP EDAYDE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	410

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RGD-hirudin	1

Entities:

Entity 1, RGD-hirudin 66 residues - 5323.929 Da.

1

VAL

TYR

THR

ASP

CYS

THR

GLU

SER

GLY

2

GLN

ASN

LEU

CYS

LEU

CYS

GLU

GLY

SER

ASN

3

VAL

CYS

GLY

GLN

GLY

ASN

LYS

CYS

ILE

LEU

4

GLY

ARG

GLY

ASP

SER

LYS

ASN

GLN

CYS

VAL

5

THR

GLY

GLU

GLY

THR

PRO

LYS

PRO

GLN

SER

6

HIS

ASN

GLN

GLY

ASP

PHE

GLU

PRO

ILE

PRO

7

GLU

ASP

ALA

TYR

ASP

GLU

Samples:

sample_1: RGD-hirudin 5 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

ARIA v2.0, Linge, O'Donoghue and Nilges - refinement

SPARKY v3.105, Goddard - peak picking

Molmol v2000, Koradi, Billeter and Wuthrich - data analysis

NMR spectrometers:

Bruker DMX 500 MHz