BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 19212

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: 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"  Not known ., .-..

Assembly members:
rhodostomin, polymer, 79 residues, 7654.598 Da.

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

Experimental source:   Production method: recombinant technology   Host organism: Pichia pastoris

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

Data sets:
Data typeCount
15N chemical shifts70
1H chemical shifts401

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1rhodostomin1

Entities:

Entity 1, rhodostomin 79 residues - 7654.598 Da.

1   GLUPHEHISHISHISHISHISHISGLYLYS
2   GLUCYSASPCYSSERSERPROGLUASNPRO
3   CYSCYSASPALAALATHRCYSLYSLEUARG
4   PROGLYALAGLNCYSGLYGLUGLYLEUCYS
5   CYSGLUGLNCYSLYSPHESERARGALAGLY
6   LYSILECYSARGILEALAARGGLYASPTRP
7   ASNASPASPARGCYSTHRGLYGLNSERALA
8   ASPCYSPROARGASNPROTRPASNGLY

Samples:

sample_1: rhodostomin 2 mM

sample_2: rhodostomin 2 mM

sample_3: rhodostomin, [U-15N], 2 mM

sample_4: rhodostomin, [U-15N], 2 mM

sample_conditions_1: ionic strength: 0.0 M; pH: 6.0; pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
3D 1H-15N TOCSYsample_3isotropicsample_conditions_1
3D HNHAsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_4isotropicsample_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

Related Database Links:

BMRB 19210
PDB

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
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