Calcium in PDB 6pt4: Crystal Structure of Apo PSS1_NC

The structure of Crystal Structure of Apo PSS1_NC, PDB code: 6pt4 was solved by A.G.Hettle, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.10 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.470, 102.091, 170.780, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 16

The structure of Crystal Structure of Apo PSS1_NC also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Calcium atom in the Crystal Structure of Apo PSS1_NC (pdb code 6pt4). 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 Apo PSS1_NC, PDB code: 6pt4:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Apo PSS1_NC


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 Apo PSS1_NC within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:5.9 occ:1.00 OD1 B:CSD84 2.0 10.5 1.0 OD1 B:ASP46 2.1 8.4 1.0 OD1 B:ASP45 2.1 9.3 1.0 OE1 B:GLN334 2.2 8.0 1.0 OD2 B:ASP333 2.3 6.8 1.0 OD1 B:ASP333 2.4 6.9 1.0 CG B:ASP333 2.7 6.4 1.0 CD B:GLN334 3.1 6.8 1.0 CG B:ASP45 3.2 8.9 1.0 CG B:ASP46 3.2 9.5 1.0 SG B:CSD84 3.5 9.6 1.0 N B:ASP46 3.7 6.9 1.0 OD2 B:ASP45 3.7 10.8 1.0 OD2 B:ASP46 3.8 13.8 1.0 NE2 B:GLN334 3.8 7.5 1.0 CA B:CSD84 3.9 6.1 1.0 NZ B:LYS346 3.9 8.7 0.5 CG B:GLN334 4.0 6.7 1.0 CB B:CSD84 4.0 6.9 1.0 CB B:ASP333 4.2 6.2 1.0 CA B:ASP45 4.2 7.0 1.0 CB B:ASP45 4.3 7.1 1.0 CA B:ASP46 4.3 7.3 1.0 C B:ASP45 4.3 6.8 1.0 CB B:ASP46 4.3 6.8 1.0 CE B:LYS346 4.3 9.5 1.0 N B:CSD84 4.4 5.5 1.0 OD2 B:CSD84 4.4 9.7 1.0 NH2 B:ARG88 4.4 8.1 1.0 O B:HOH768 4.4 17.1 1.0 NE B:ARG88 4.6 7.1 1.0 C B:LEU83 4.9 5.4 1.0 N B:GLN334 4.9 6.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Apo PSS1_NC


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 Apo PSS1_NC within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:5.8 occ:1.00 OD1 A:CSD84 2.0 10.8 1.0 OD1 A:ASP46 2.1 8.4 1.0 OD1 A:ASP45 2.2 9.4 1.0 OE1 A:GLN334 2.2 8.2 1.0 OD2 A:ASP333 2.3 7.2 1.0 OD1 A:ASP333 2.4 7.1 1.0 CG A:ASP333 2.7 7.2 1.0 CD A:GLN334 3.0 7.1 1.0 CG A:ASP45 3.2 9.1 1.0 CG A:ASP46 3.2 8.9 1.0 SG A:CSD84 3.5 9.8 1.0 N A:ASP46 3.7 6.5 1.0 OD2 A:ASP45 3.8 11.3 1.0 NZ A:LYS346 3.8 9.6 0.5 NE2 A:GLN334 3.8 6.4 1.0 OD2 A:ASP46 3.8 14.1 1.0 CA A:CSD84 3.9 6.6 1.0 CG A:GLN334 4.0 6.9 1.0 CB A:CSD84 4.0 7.5 1.0 CB A:ASP333 4.2 6.5 1.0 CA A:ASP45 4.2 7.1 1.0 CE A:LYS346 4.2 9.4 0.5 C A:ASP45 4.3 6.9 1.0 CA A:ASP46 4.3 7.2 1.0 CB A:ASP45 4.3 7.7 1.0 CB A:ASP46 4.3 7.4 1.0 N A:CSD84 4.3 6.2 1.0 CE A:LYS346 4.3 8.5 0.5 NH2 A:ARG88 4.4 7.7 1.0 NZ A:LYS346 4.4 10.8 0.5 OD2 A:CSD84 4.4 9.8 1.0 O2 A:EDO608 4.4 18.4 1.0 NE A:ARG88 4.6 7.4 1.0 CD A:LYS346 4.6 9.2 0.5 C A:LEU83 4.8 6.8 1.0 N A:GLN334 4.9 6.5 1.0

A.G.Hettle, J.K.Hobbs, B.Pluvinage, C.Vickers, K.Abe, O.Salama-Alber, B.Mcguire, J.H.Hehemann, J.P.M.Hui, F.Berrue, A.Banskota, J.Zhang, E.Bottos, J.Van Hamme, A.B.Boraston. The Carrageenan Metabolism Pathway of Marine Pseudoalteromonas Species To Be Published.