Calcium in PDB 3n1u: Structure of Putative Had Superfamily (Subfamily III A) Hydrolase From Legionella Pneumophila

The structure of Structure of Putative Had Superfamily (Subfamily III A) Hydrolase From Legionella Pneumophila, PDB code: 3n1u was solved by U.A.Ramagopal, R.Toro, S.K.Burley, S.C.Almo, New York Sgx Research Centerfor Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	80.907, 80.907, 65.295, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.7

The binding sites of Calcium atom in the Structure of Putative Had Superfamily (Subfamily III A) Hydrolase From Legionella Pneumophila (pdb code 3n1u). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of Putative Had Superfamily (Subfamily III A) Hydrolase From Legionella Pneumophila, PDB code: 3n1u:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structure of Putative Had Superfamily (Subfamily III A) Hydrolase From Legionella Pneumophila


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Putative Had Superfamily (Subfamily III A) Hydrolase From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca200 b:27.5 occ:1.00 OD1 A:ASP118 2.2 24.5 1.0 OD2 A:ASP25 2.2 33.0 1.0 O A:ASP27 2.4 27.5 1.0 O A:HOH246 2.4 32.9 1.0 O A:HOH203 2.4 30.4 1.0 O A:HOH198 2.4 29.6 1.0 CG A:ASP118 3.3 27.7 1.0 CG A:ASP25 3.3 30.6 1.0 C A:ASP27 3.6 26.4 1.0 OD2 A:ASP118 3.6 31.8 1.0 OD1 A:ASP25 3.8 30.9 1.0 O A:HOH214 4.0 37.5 1.0 OD2 A:ASP122 4.2 29.1 1.0 O A:HOH248 4.3 42.7 1.0 N A:ASP27 4.4 27.2 1.0 CA A:ASP27 4.4 26.5 1.0 CB A:ASP27 4.4 28.8 1.0 CB A:ASP25 4.5 27.8 1.0 O A:HOH220 4.5 38.2 1.0 N A:GLY28 4.6 23.6 1.0 O A:HOH247 4.6 38.3 1.0 CB A:ASP118 4.6 25.9 1.0 CA A:GLY28 4.7 25.0 1.0 CB A:ASP119 4.7 27.5 1.0 O A:HOH199 4.7 31.8 1.0 N A:ASP119 4.9 26.7 1.0 N A:ASP118 4.9 26.5 1.0 CG2 A:VAL29 4.9 21.2 1.0

Calcium binding site 2 out of 3 in the Structure of Putative Had Superfamily (Subfamily III A) Hydrolase From Legionella Pneumophila


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Putative Had Superfamily (Subfamily III A) Hydrolase From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:40.4 occ:0.50 CA A:CA201 0.0 40.4 0.5 O A:HOH249 1.9 37.2 1.0 CA A:CA201 2.0 37.0 0.5 O A:HOH262 2.0 48.7 1.0 OD1 A:ASP147 2.6 38.4 1.0 O A:HOH261 2.6 57.8 1.0 O A:HOH257 2.7 44.0 1.0 OD2 A:ASP147 2.8 35.4 1.0 CG A:ASP147 3.0 37.2 1.0 O A:GLN127 3.8 38.5 1.0 O A:ILE126 4.1 30.7 1.0 NZ A:LYS15 4.2 44.9 1.0 O A:VAL129 4.2 32.6 1.0 C A:GLN127 4.4 36.2 1.0 CA A:GLN127 4.5 35.3 1.0 CB A:ASP147 4.5 33.7 1.0 N A:ASP147 4.9 32.8 1.0 O A:GLY130 4.9 31.4 1.0

Calcium binding site 3 out of 3 in the Structure of Putative Had Superfamily (Subfamily III A) Hydrolase From Legionella Pneumophila


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Putative Had Superfamily (Subfamily III A) Hydrolase From Legionella Pneumophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:37.0 occ:0.50 CA A:CA201 0.0 37.0 0.5 CA A:CA201 2.0 40.4 0.5 O A:HOH261 2.1 57.8 1.0 O A:HOH262 2.4 48.7 1.0 O A:HOH249 2.5 37.2 1.0 O A:GLN127 2.6 38.5 1.0 C A:GLN127 3.6 36.2 1.0 O A:HOH257 4.0 44.0 1.0 O A:HOH237 4.1 53.0 1.0 O A:VAL129 4.1 32.6 1.0 CA A:GLN127 4.2 35.3 1.0 OD1 A:ASP147 4.5 38.4 1.0 OD2 A:ASP147 4.6 35.4 1.0 N A:GLN128 4.7 34.5 1.0 O A:ILE126 4.8 30.7 1.0 C A:GLN128 5.0 32.6 1.0 CB A:GLN127 5.0 37.6 1.0 CG A:ASP147 5.0 37.2 1.0

U.A.Ramagopal, R.Toro, S.K.Burley, S.C.Almo. Structure of Putative Had Superfamily (Subfamily III A) Hydrolase From Legionella Pneumophila To Be Published.