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Calcium in PDB 3rsl: H-Ras Soaked in 90% R,S,R-Bisfuranol: One of 10 in Mscs Set

Protein crystallography data

The structure of H-Ras Soaked in 90% R,S,R-Bisfuranol: One of 10 in Mscs Set, PDB code: 3rsl 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) 33.39 / 1.70
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 89.140, 89.140, 133.089, 90.00, 90.00, 120.00
R / Rfree (%) 19.7 / 22

Other elements in 3rsl:

The structure of H-Ras Soaked in 90% R,S,R-Bisfuranol: One of 10 in Mscs Set also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the H-Ras Soaked in 90% R,S,R-Bisfuranol: One of 10 in Mscs Set (pdb code 3rsl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the H-Ras Soaked in 90% R,S,R-Bisfuranol: One of 10 in Mscs Set, PDB code: 3rsl:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 3rsl

Go back to Calcium Binding Sites List in 3rsl
Calcium binding site 1 out of 3 in the H-Ras Soaked in 90% R,S,R-Bisfuranol: 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 90% R,S,R-Bisfuranol: One of 10 in Mscs Set within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca591

b:21.9
occ:1.00
O A:PHE28 2.4 24.1 1.0
OD2 A:ASP30 2.4 23.3 1.0
O A:HOH309 2.5 29.9 1.0
C A:PHE28 3.6 24.6 1.0
CG A:ASP30 3.6 23.6 1.0
N A:ASP30 4.0 20.9 1.0
CB A:ASP30 4.4 24.1 1.0
CA A:VAL29 4.4 18.4 1.0
O3 A:RSF204 4.4 35.9 1.0
N A:VAL29 4.4 18.6 1.0
OD1 A:ASP30 4.5 24.9 1.0
CA A:PHE28 4.5 20.7 1.0
C A:VAL29 4.6 20.8 1.0
N A:PHE28 4.7 21.5 1.0
O A:HOH312 4.8 28.8 1.0
CB A:PHE28 4.8 21.1 1.0
CA A:ASP30 4.8 22.9 1.0

Calcium binding site 2 out of 3 in 3rsl

Go back to Calcium Binding Sites List in 3rsl
Calcium binding site 2 out of 3 in the H-Ras Soaked in 90% R,S,R-Bisfuranol: 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 90% R,S,R-Bisfuranol: One of 10 in Mscs Set within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca596

b:22.0
occ:0.50
OD1 A:ASP154 2.3 29.1 1.0
OE1 A:GLU153 2.4 22.9 1.0
O A:HOH321 3.2 23.6 1.0
CG A:ASP154 3.4 27.2 1.0
CD A:GLU153 3.6 24.5 1.0
OD2 A:ASP154 3.9 21.3 1.0
OE2 A:GLU153 4.1 23.0 1.0
N A:ASP154 4.3 17.4 1.0
CB A:ASP154 4.5 18.8 1.0
CA A:ASP154 4.5 17.4 1.0
CG A:GLU153 4.7 19.7 1.0
CB A:GLU153 4.8 20.6 1.0
C A:GLU153 5.0 20.1 1.0

Calcium binding site 3 out of 3 in 3rsl

Go back to Calcium Binding Sites List in 3rsl
Calcium binding site 3 out of 3 in the H-Ras Soaked in 90% R,S,R-Bisfuranol: 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 3 of H-Ras Soaked in 90% R,S,R-Bisfuranol: One of 10 in Mscs Set within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca593

b:26.0
occ:0.50
O A:ARG102 2.4 30.3 1.0
OD2 A:ASP105 2.5 29.6 1.0
OD1 A:ASP105 2.6 59.3 1.0
CG A:ASP105 2.8 37.2 1.0
C A:ARG102 3.5 38.0 1.0
CB A:ASP105 4.1 38.4 1.0
CA A:ARG102 4.3 30.5 1.0
CG A:ARG102 4.4 47.1 1.0
CA A:ASP105 4.4 35.9 1.0
N A:VAL103 4.5 27.8 1.0
N A:ASP105 4.5 32.7 1.0
CA A:VAL103 4.5 29.1 1.0
O A:VAL103 4.6 29.9 1.0
C A:VAL103 4.6 30.2 1.0
CB A:ARG102 4.9 33.1 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 04:28:45 2020

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