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 17963

Title: Solution structure of Rhodostomin G50L mutant

Deposition date: 2011-09-30 Original release date: 2012-10-01

Authors: Chuang, Woei-Jer; Shiu, Jia-Hau; Chen, Chiu-Yueh; Chen, Yi-Chun; Chang, Yao-Tsung; Chang, Yung-Sheng; Huang, Chun-Hao

Citation: Shiu, Jia-Hau; Chen, Chiu-Yueh; Chen, Yi-Chun; Chang, Yao-Tsung. "Design of Integrin AlphaVbeta3-Specific Disintegrin for Cancer Therapy"  Not known ., .-..

Assembly members:
Rhodostomin_G50L_mutant, polymer, 68 residues, 7397.471 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_G50L_mutant: GKECDCSSPENPCCDAATCK LRPGAQCGEGLCCEQCKFSR AGKICRIPRLDMPDDRCTGQ SADCPRYH

Data sets:
Data typeCount
15N chemical shifts67
1H chemical shifts390

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Rhodostomin G50L mutant1

Entities:

Entity 1, Rhodostomin G50L mutant 68 residues - 7397.471 Da.

1   GLYLYSGLUCYSASPCYSSERSERPROGLU
2   ASNPROCYSCYSASPALAALATHRCYSLYS
3   LEUARGPROGLYALAGLNCYSGLYGLUGLY
4   LEUCYSCYSGLUGLNCYSLYSPHESERARG
5   ALAGLYLYSILECYSARGILEPROARGLEU
6   ASPMETPROASPASPARGCYSTHRGLYGLN
7   SERALAASPCYSPROARGTYRHIS

Samples:

sample_1: Rhodostomin G50L mutant 2 mM; H2O 90%; D2O 10%

sample_2: Rhodostomin G50L mutant 2 mM; D2O 100%

sample_3: Rhodostomin G50L mutant, [U-99% 15N], 2 mM; H2O 90%; D2O 10%

sample_4: Rhodostomin G50L mutant, [U-99% 15N], 2 mM; D2O 100%

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_3isotropicsample_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_4isotropicsample_conditions_1
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

Software:

TOPSPIN v1.3, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 2856
PDB
GB AAA49196 AAA57568
SP P30403

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