Calcium in PDB 4l9w: Crystal Structure of H-Ras G12C, Gmppnp-Bound

All present enzymatic activity of Crystal Structure of H-Ras G12C, Gmppnp-Bound:
3.6.5.2;

The structure of Crystal Structure of H-Ras G12C, Gmppnp-Bound, PDB code: 4l9w was solved by J.M.Ostrem, U.Peters, M.L.Sos, J.A.Wells, K.M.Shokat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.95
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	89.148, 89.148, 136.314, 90.00, 90.00, 120.00
R / Rfree (%)	15.6 / 18.9

The structure of Crystal Structure of H-Ras G12C, Gmppnp-Bound also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Crystal Structure of H-Ras G12C, Gmppnp-Bound (pdb code 4l9w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of H-Ras G12C, Gmppnp-Bound, PDB code: 4l9w:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of H-Ras G12C, Gmppnp-Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of H-Ras G12C, Gmppnp-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:25.4 occ:1.00 O A:HOH313 2.2 28.5 1.0 O A:PHE28 2.3 24.6 1.0 O A:HOH370 2.3 37.6 1.0 OD1 A:ASP30 2.3 35.9 1.0 C A:PHE28 3.5 24.9 1.0 CG A:ASP30 3.6 39.2 1.0 N A:ASP30 4.0 23.3 1.0 CA A:VAL29 4.3 22.7 1.0 N A:VAL29 4.3 22.9 1.0 O A:HOH365 4.4 41.2 1.0 O A:HOH410 4.4 31.3 1.0 OD2 A:ASP30 4.4 36.4 1.0 CB A:ASP30 4.5 24.9 1.0 CA A:PHE28 4.5 24.7 1.0 N A:PHE28 4.6 23.8 1.0 C A:VAL29 4.6 23.6 1.0 O A:HOH397 4.7 42.6 1.0 CB A:PHE28 4.8 26.3 1.0 CA A:ASP30 4.9 26.0 1.0 ND1 A:HIS27 4.9 31.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of H-Ras G12C, Gmppnp-Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of H-Ras G12C, Gmppnp-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:60.2 occ:0.50 OD1 A:ASP154 2.4 37.6 1.0 O A:HOH437 2.5 46.6 1.0 CG A:ASP154 3.2 33.8 1.0 OD2 A:ASP154 3.2 37.4 1.0 O A:HOH426 3.5 53.2 1.0 O A:HOH305 4.0 25.7 1.0 CB A:ASP154 4.6 25.2 1.0 O A:HOH420 4.7 48.3 1.0 O A:HOH330 4.9 32.8 1.0

J.M.Ostrem, U.Peters, M.L.Sos, J.A.Wells, K.M.Shokat. K-Ras(G12C) Inhibitors Allosterically Control Gtp Affinity and Effector Interactions. Nature V. 503 548 2013.
ISSN: ISSN 0028-0836
PubMed: 24256730
DOI: 10.1038/NATURE12796