Calcium in PDB 6pt6: Crystal Structure of PSS1_NC C84S in Complex with I-Neocarratetraose

The structure of Crystal Structure of PSS1_NC C84S in Complex with I-Neocarratetraose, PDB code: 6pt6 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)	31.78 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.728, 102.211, 170.745, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25.2

The binding sites of Calcium atom in the Crystal Structure of PSS1_NC C84S in Complex with I-Neocarratetraose (pdb code 6pt6). 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 PSS1_NC C84S in Complex with I-Neocarratetraose, PDB code: 6pt6:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of PSS1_NC C84S in Complex with I-Neocarratetraose


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 PSS1_NC C84S in Complex with I-Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:39.8 occ:1.00 OD1 B:ASP45 2.2 34.1 1.0 OE1 B:GLN334 2.3 26.0 1.0 OD2 B:ASP333 2.3 27.9 1.0 OD1 B:ASP46 2.4 27.3 1.0 OD1 B:ASP333 2.6 29.4 1.0 CG B:ASP333 2.8 29.2 1.0 O8 B:DGS603 2.8 49.3 1.0 CD B:GLN334 3.2 26.6 1.0 CG B:ASP45 3.4 32.0 1.0 CG B:ASP46 3.5 29.8 1.0 CB B:SER84 3.6 33.8 1.0 N B:ASP46 3.7 26.5 1.0 CA B:SER84 3.9 32.6 1.0 NE2 B:GLN334 4.0 24.2 1.0 CG B:GLN334 4.0 26.9 1.0 S B:DGS603 4.0 48.0 1.0 NZ B:LYS346 4.1 51.9 1.0 OG B:SER84 4.1 56.9 1.0 OD2 B:ASP45 4.2 34.0 1.0 OD2 B:ASP46 4.2 35.3 1.0 CA B:ASP45 4.2 28.0 1.0 CE B:LYS346 4.2 44.3 1.0 C B:ASP45 4.3 29.3 1.0 CB B:ASP333 4.3 27.9 1.0 N B:SER84 4.3 29.6 1.0 O9 B:DGS603 4.3 34.6 1.0 CA B:ASP46 4.4 28.1 1.0 CB B:ASP45 4.4 32.8 1.0 O7 B:DGS603 4.5 46.8 1.0 CB B:ASP46 4.6 29.7 1.0 NH2 B:ARG88 4.6 37.4 1.0 NE B:ARG88 4.7 33.7 1.0 CD2 B:HIS239 4.7 42.1 1.0 C B:LEU83 4.9 27.1 1.0 N B:GLN334 5.0 24.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of PSS1_NC C84S in Complex with I-Neocarratetraose


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 PSS1_NC C84S in Complex with I-Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:35.0 occ:1.00 OD1 A:ASP45 2.2 33.5 1.0 OD1 A:ASP46 2.3 27.3 1.0 OE1 A:GLN334 2.4 25.0 1.0 OD2 A:ASP333 2.5 23.4 1.0 OD1 A:ASP333 2.7 22.5 1.0 O7 A:DGS603 2.7 45.1 1.0 CG A:ASP333 2.9 22.9 1.0 CD A:GLN334 3.3 27.9 1.0 CG A:ASP45 3.4 28.0 1.0 CG A:ASP46 3.5 29.0 1.0 CB A:SER84 3.6 34.0 1.0 N A:ASP46 3.8 28.9 1.0 CA A:SER84 4.0 29.2 1.0 S A:DGS603 4.0 49.3 1.0 OG A:SER84 4.0 42.6 1.0 NE2 A:GLN334 4.1 25.8 1.0 CG A:GLN334 4.1 28.2 1.0 OD2 A:ASP46 4.1 27.9 1.0 OD2 A:ASP45 4.2 28.5 1.0 CE A:LYS346 4.2 42.1 1.0 CA A:ASP45 4.2 29.4 1.0 C A:ASP45 4.3 33.6 1.0 N A:SER84 4.4 27.0 1.0 CB A:ASP333 4.4 23.7 1.0 CB A:ASP45 4.4 29.9 1.0 CA A:ASP46 4.4 29.5 1.0 O8 A:DGS603 4.4 37.8 1.0 NZ A:LYS139 4.5 39.5 1.0 O9 A:DGS603 4.5 46.5 1.0 CB A:ASP46 4.5 29.3 1.0 NZ A:LYS346 4.6 46.6 1.0 NH2 A:ARG88 4.6 32.8 1.0 CD2 A:HIS239 4.7 41.4 1.0 NE A:ARG88 4.7 25.5 1.0 C A:LEU83 5.0 25.4 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.