BMRB Entry 19211

Name: The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins
Published: 2013-05-14

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PDB ID: 2m7f
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19211
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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:

The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins

Deposition date:

2013-05-01

Original release date:

2013-05-14

Authors:

Chuang, Woei-Jer; Chang, Yao-Tsung

Citation:

Citation: Chuang, Woei-Jer; Chang, Yao-Tsung; Shiu, Jia-Hau; Chen, Chiu-Yueh; Chen, Yi-Chun. "The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins" .

Assembly members:

Assembly members:
rhodostomin, polymer, 79 residues, 7590.551 Da.

Natural source:

Natural source: Common Name: Malayan pit viper Taxonomy ID: 8717 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Calloselasma rhodostoma

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Pichia pastoris Vector: pPICZ alpha A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
rhodostomin: EFHHHHHHGKECDCSSPENP CCDAATCKLRPGAQCGEGLC CEQCKFSRAGKICRIARGDW NDDRCTGQSADCPRNGLYG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	71
1H chemical shifts	400

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	rhodostomin	1

Entities:

Entity 1, rhodostomin 79 residues - 7590.551 Da.

1

GLU

PHE

HIS

GLY

LYS

2

GLU

CYS

ASP

CYS

SER

PRO

GLU

ASN

PRO

3

CYS

ASP

ALA

THR

CYS

LYS

LEU

ARG

4

PRO

GLY

ALA

GLN

CYS

GLY

GLU

GLY

LEU

CYS

5

CYS

GLU

GLN

CYS

LYS

PHE

SER

ARG

ALA

GLY

6

LYS

ILE

CYS

ARG

ILE

ALA

ARG

GLY

ASP

TRP

7

ASN

ASP

ARG

CYS

THR

GLY

GLN

SER

ALA

8

ASP

CYS

PRO

ARG

ASN

GLY

LEU

TYR

GLY

Samples:

sample_1: Rhodostomin 48ARGDWN-67NGLYG mutant 2 mM

sample_2: Rhodostomin 48ARGDWN-67NGLYG mutant 2 mM

sample_3: Rhodostomin 48ARGDWN-67NGLYG mutant, [U-15N], 2 mM

sample_4: Rhodostomin 48ARGDWN-67NGLYG mutant, [U-15N], 2 mM

sample_conditions_1: ionic strength: 0 M; pH: 6.0; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_3	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_3	isotropic	sample_conditions_1
3D HNHA	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_4	isotropic	sample_conditions_1

Software:

xwinnmr v2.6, Bruker Biospin - collection

AURELIA v3.1.7, Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer - data analysis

X-PLOR v3.185, Brunger - refinement

NMR spectrometers:

Bruker Avance 600 MHz