Calcium in PDB 3iln: X-Ray Structure of the Laminarinase From Rhodothermus Marinus

The structure of X-Ray Structure of the Laminarinase From Rhodothermus Marinus, PDB code: 3iln was solved by L.Bleicher, A.Golubev, A.L.Rojas, A.S.Nascimento, I.Polikarpov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.92 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.218, 108.288, 64.588, 90.00, 113.90, 90.00
R / Rfree (%)	15.7 / 19

The binding sites of Calcium atom in the X-Ray Structure of the Laminarinase From Rhodothermus Marinus (pdb code 3iln). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Structure of the Laminarinase From Rhodothermus Marinus, PDB code: 3iln:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Structure of the Laminarinase From Rhodothermus Marinus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of the Laminarinase From Rhodothermus Marinus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:29.9 occ:1.00 O A:GLU18 2.4 22.9 1.0 O A:GLY60 2.4 21.8 1.0 O A:ASP248 2.5 21.5 1.0 OD1 A:ASP248 2.5 20.2 1.0 O A:HOH382 2.8 29.2 1.0 O A:HOH492 2.8 26.8 1.0 C A:ASP248 3.4 20.7 1.0 C A:GLU18 3.5 23.5 1.0 C A:GLY60 3.6 25.4 1.0 CG A:ASP248 3.6 23.1 1.0 CA A:ASP248 3.9 21.3 1.0 CA A:GLU18 4.2 20.9 1.0 CA A:GLY60 4.2 25.9 1.0 CB A:ASP248 4.4 21.5 1.0 O A:PHE19 4.4 26.2 1.0 N A:TYR249 4.5 21.2 1.0 OD2 A:ASP248 4.5 24.0 1.0 CB A:GLU18 4.5 23.2 1.0 N A:PHE19 4.5 23.3 1.0 C A:PHE19 4.6 26.3 1.0 CB A:PHE19 4.6 21.8 1.0 CB A:TYR249 4.6 20.4 1.0 O A:HOH491 4.6 39.5 1.0 N A:VAL61 4.6 24.6 1.0 OE1 A:GLU18 4.7 22.9 1.0 CA A:VAL61 4.7 23.1 1.0 CA A:PHE19 4.8 23.5 1.0 CA A:TYR249 4.8 21.8 1.0 CG1 A:VAL61 4.9 21.8 1.0

Calcium binding site 2 out of 2 in the X-Ray Structure of the Laminarinase From Rhodothermus Marinus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of the Laminarinase From Rhodothermus Marinus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca400 b:31.7 occ:1.00 O B:GLY60 2.5 25.0 1.0 O B:GLU18 2.5 25.1 1.0 OD1 B:ASP248 2.6 26.2 1.0 O B:HOH365 2.7 21.6 1.0 O B:ASP248 2.7 22.4 1.0 O B:HOH561 3.0 31.1 1.0 O B:HOH506 3.2 34.4 1.0 C B:GLY60 3.5 25.2 1.0 C B:ASP248 3.6 20.0 1.0 CG B:ASP248 3.6 23.3 1.0 C B:GLU18 3.7 22.7 1.0 CA B:ASP248 4.0 22.0 1.0 CA B:GLY60 4.1 27.8 1.0 O B:HOH590 4.3 32.5 1.0 CA B:GLU18 4.4 23.8 1.0 O B:HOH410 4.4 26.1 1.0 O B:PHE19 4.4 25.4 1.0 CB B:ASP248 4.4 22.3 1.0 OD2 B:ASP248 4.5 24.9 1.0 CB B:GLU18 4.5 23.2 1.0 O B:HOH429 4.5 31.3 1.0 C B:PHE19 4.6 24.5 1.0 N B:VAL61 4.6 25.2 1.0 OE1 B:GLU18 4.6 20.6 1.0 N B:TYR249 4.7 22.4 1.0 N B:PHE19 4.7 22.2 1.0 CB B:PHE19 4.8 21.4 1.0 CA B:VAL61 4.9 23.5 1.0 CB B:TYR249 4.9 21.0 1.0 CA B:PHE19 5.0 23.7 1.0

L.Bleicher, E.T.Prates, T.C.Gomes, R.L.Silveira, A.S.Nascimento, A.L.Rojas, A.Golubev, L.Martinez, M.S.Skaf, I.Polikarpov. Molecular Basis of the Thermostability and Thermophilicity of Laminarinases: X-Ray Structure of the Hyperthermostable Laminarinase From Rhodothermus Marinus and Molecular Dynamics Simulations. J.Phys.Chem.B V. 115 7940 2011.
ISSN: ISSN 1089-5647
PubMed: 21619042
DOI: 10.1021/JP200330Z