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Calcium in PDB 3rs2: H-Ras Soaked in 50% 2,2,2-Trifluoroethanol: One of 10 in Mscs Set

Protein crystallography data

The structure of H-Ras Soaked in 50% 2,2,2-Trifluoroethanol: One of 10 in Mscs Set, PDB code: 3rs2 was solved by C.Mattos, G.Buhrman, B.Kearney, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.14 / 1.84
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 88.323, 88.323, 133.910, 90.00, 90.00, 120.00
R / Rfree (%) 17.6 / 20.4

Other elements in 3rs2:

The structure of H-Ras Soaked in 50% 2,2,2-Trifluoroethanol: One of 10 in Mscs Set also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Magnesium (Mg) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the H-Ras Soaked in 50% 2,2,2-Trifluoroethanol: One of 10 in Mscs Set (pdb code 3rs2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the H-Ras Soaked in 50% 2,2,2-Trifluoroethanol: One of 10 in Mscs Set, PDB code: 3rs2:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3rs2

Go back to Calcium Binding Sites List in 3rs2
Calcium binding site 1 out of 2 in the H-Ras Soaked in 50% 2,2,2-Trifluoroethanol: One of 10 in Mscs Set


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of H-Ras Soaked in 50% 2,2,2-Trifluoroethanol: One of 10 in Mscs Set within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca193

b:24.1
occ:1.00
O A:PHE28 2.4 21.9 1.0
OD2 A:ASP30 2.4 24.3 1.0
O A:HOH309 2.4 26.6 1.0
C A:PHE28 3.6 22.8 1.0
CG A:ASP30 3.6 28.4 1.0
N A:ASP30 4.0 20.8 1.0
CA A:VAL29 4.3 17.4 1.0
CB A:ASP30 4.4 25.0 1.0
N A:VAL29 4.4 15.2 1.0
OD1 A:ASP30 4.5 28.2 1.0
CA A:PHE28 4.6 20.3 1.0
C A:VAL29 4.6 20.5 1.0
O A:HOH312 4.7 28.6 1.0
N A:PHE28 4.7 22.2 1.0
O A:HOH427 4.7 39.9 1.0
CB A:PHE28 4.8 21.2 1.0
CA A:ASP30 4.8 23.5 1.0

Calcium binding site 2 out of 2 in 3rs2

Go back to Calcium Binding Sites List in 3rs2
Calcium binding site 2 out of 2 in the H-Ras Soaked in 50% 2,2,2-Trifluoroethanol: One of 10 in Mscs Set


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of H-Ras Soaked in 50% 2,2,2-Trifluoroethanol: One of 10 in Mscs Set within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca195

b:40.9
occ:0.59
O A:ARG102 2.5 28.9 1.0
OD1 A:ASP105 2.5 35.4 1.0
O A:HOH393 3.0 54.6 0.5
C A:ARG102 3.5 34.8 1.0
CG A:ASP105 3.7 35.9 1.0
O A:HOH396 4.0 26.7 0.5
CA A:ARG102 4.2 30.6 1.0
CB A:ASP105 4.3 32.7 1.0
N A:VAL103 4.4 27.2 1.0
CA A:ASP105 4.5 31.0 1.0
CG A:ARG102 4.5 45.4 1.0
N A:ASP105 4.5 32.5 1.0
CA A:VAL103 4.5 31.2 1.0
OD2 A:ASP105 4.7 42.9 1.0
C A:VAL103 4.7 32.8 1.0
CB A:ARG102 4.8 31.0 1.0
O A:VAL103 4.8 28.3 1.0

Reference:

G.Buhrman, C.O Connor, B.Zerbe, B.M.Kearney, R.Napoleon, E.A.Kovrigina, S.Vajda, D.Kozakov, E.L.Kovrigin, C.Mattos. Analysis of Binding Site Hot Spots on the Surface of Ras Gtpase. J.Mol.Biol. V. 413 773 2011.
ISSN: ISSN 0022-2836
PubMed: 21945529
DOI: 10.1016/J.JMB.2011.09.011
Page generated: Sat Dec 12 04:28:41 2020

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