BMRB Entry 17963

Name: Solution structure of Rhodostomin G50L mutant
Published: 2012-10-01

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PDB ID: 2ljv
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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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:

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:

Citation: Shiu, Jia-Hau; Chen, Chiu-Yueh; Chen, Yi-Chun; Chang, Yao-Tsung. "Design of Integrin AlphaVbeta3-Specific Disintegrin for Cancer Therapy" .

Assembly members:

Assembly members:
Rhodostomin_G50L_mutant, polymer, 68 residues, 7397.471 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: pPICZaA

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Rhodostomin_G50L_mutant: GKECDCSSPENPCCDAATCK LRPGAQCGEGLCCEQCKFSR AGKICRIPRLDMPDDRCTGQ SADCPRYH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	67
1H chemical shifts	390

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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

PRO

GLU

2

ASN

PRO

CYS

ASP

ALA

THR

CYS

LYS

3

LEU

ARG

PRO

GLY

ALA

GLN

CYS

GLY

GLU

GLY

4

LEU

CYS

GLU

GLN

CYS

LYS

PHE

SER

ARG

5

ALA

GLY

LYS

ILE

CYS

ARG

ILE

PRO

ARG

LEU

6

ASP

MET

PRO

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

BMRB	2856
PDB	1N4Y 2LJV 2PJF 2PJG 2PJI 4R5U 4RQG
GB	AAA49196 AAA57568
SP	P30403
AlphaFold	P30403