BMRB Entry 17963
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17963
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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
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 67 |
| 1H chemical shifts | 390 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Rhodostomin G50L mutant | 1 |
Entities:
Entity 1, Rhodostomin G50L mutant 68 residues - 7397.471 Da.
| 1 | GLY | LYS | GLU | CYS | ASP | CYS | SER | SER | PRO | GLU | ||||
| 2 | ASN | PRO | CYS | CYS | ASP | ALA | ALA | THR | CYS | LYS | ||||
| 3 | LEU | ARG | PRO | GLY | ALA | GLN | CYS | GLY | GLU | GLY | ||||
| 4 | LEU | CYS | CYS | GLU | GLN | CYS | LYS | PHE | SER | ARG | ||||
| 5 | ALA | GLY | LYS | ILE | CYS | ARG | ILE | PRO | ARG | LEU | ||||
| 6 | ASP | MET | PRO | ASP | ASP | ARG | CYS | THR | GLY | GLN | ||||
| 7 | SER | ALA | ASP | CYS | PRO | ARG | TYR | HIS |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_3 | 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_4 | isotropic | sample_conditions_1 |
| 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 |
Software:
TOPSPIN v1.3, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts