BMRB: 6894

New insights into binding of the possible cancer target RalGDS

Authors

Gronwald, W., Maurer, T., Fuechsl, R., Wohlgemuth, S., Herrmann, C., Kalbitzer, H.R.

Assembly

Ral guanine nucleotide dissociation stimulator

Entity

1. Ral guanine nucleotide dissociation stimulator (polymer, Thiol state: all free), 87 monomers, 10039.30 Da Detail

DCCIIRVSLD VDNGNMYKSI LVTSQDKAPA VIRKAMDKHN LEEEEPEDYE LLQILSDDRK LKIPENANVF YAMNSTANYD FVLKKRT

Formula weight

10039.3 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

simulated annealing first in torsion angle space followed by simulated annealing in cartesian space. Final refinement in explicit solvent (H2O).

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.9 %, Completeness (bb): 91.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	87.9 % (905 of 1030)	90.7 % (489 of 539)	82.4 % (328 of 398)	94.6 % (88 of 93)
Backbone	91.3 % (471 of 516)	94.8 % (163 of 172)	88.1 % (229 of 260)	94.0 % (79 of 84)
Sidechain	85.0 % (510 of 600)	88.8 % (326 of 367)	78.1 % (175 of 224)	100.0 % (9 of 9)
Aromatic	71.4 % (40 of 56)	64.3 % (18 of 28)	78.6 % (22 of 28)
Methyl	86.7 % (85 of 98)	100.0 % (49 of 49)	73.5 % (36 of 49)

1. Ral guanine nucleotide dissociation stimulator

DCCIIRVSLD VDNGNMYKSI LVTSQDKAPA VIRKAMDKHN LEEEEPEDYE LLQILSDDRK LKIPENANVF YAMNSTANYD FVLKKRT

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Ral guanine nucleotide dissociation stimulator			1.0 mM
2	potassium buffer			20 mM
3	dithioerythritol (DTE)			2 mM
4	EDTA			0.5 mM
5	NaN3			0.5 mM
6	2,2-dimethyl-2-silapentane sulfonic acid(DSS)			0.1 mM
7	H2O			95 %
8	D2O			5 %

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LACS Plot; CA

Referencing offset: 0.22 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.22 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.04 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.6 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 10 models in PDB: 2B3A, Strand ID: A Detail

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Release date

2005-11-28

Citation

New insights into binding of the possible cancer target RalGDS
Gronwald, W., Maurer, T., Fuechsl, R., Wohlgemuth, S., Herrmann, C., Kalbitzer, H.R.

Related entities 1. Ral guanine nucleotide dissociation stimulator, : 1 : 5 : 35 entities Detail

Interaction partners 1. Ral guanine nucleotide dissociation stimulator, : 12 interactors Detail

Experiments performed 2 experiments Detail