Calcium in PDB 6pso: Crystal Structure of PSS1_19B C77S in Complex with Iota- Neocarratetraose

The structure of Crystal Structure of PSS1_19B C77S in Complex with Iota- Neocarratetraose, PDB code: 6pso 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)	29.01 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.264, 93.995, 170.547, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 23.1

The structure of Crystal Structure of PSS1_19B C77S in Complex with Iota- Neocarratetraose also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of PSS1_19B C77S in Complex with Iota- Neocarratetraose (pdb code 6pso). 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_19B C77S in Complex with Iota- Neocarratetraose, PDB code: 6pso:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of PSS1_19B C77S in Complex with Iota- 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_19B C77S in Complex with Iota- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:16.4 occ:1.00 OD1 B:ASP37 1.9 24.0 1.0 OD1 B:ASP38 2.1 21.9 1.0 OD2 B:ASP290 2.1 22.4 1.0 CL B:CL502 2.3 27.6 1.0 OD1 B:ASN291 2.5 26.2 1.0 OD1 B:ASP290 2.5 22.5 1.0 CG B:ASP290 2.6 22.6 1.0 CG B:ASP38 3.1 21.6 1.0 CG B:ASP37 3.1 24.4 1.0 CG B:ASN291 3.3 24.2 1.0 ND2 B:ASN291 3.4 23.3 1.0 N B:ASP38 3.6 23.2 1.0 OD2 B:ASP38 3.8 20.6 1.0 OD2 B:ASP37 3.8 21.7 1.0 CB B:ASP38 4.0 20.4 1.0 CB B:ASP290 4.1 22.7 1.0 CA B:ASP37 4.1 23.3 1.0 CA B:ASP38 4.1 22.6 1.0 C B:ASP37 4.1 23.6 1.0 CE B:LYS309 4.1 25.2 1.0 CB B:ASP37 4.2 23.4 1.0 CB B:SER77 4.2 21.7 1.0 NZ B:LYS309 4.2 24.1 1.0 CD2 B:HIS233 4.2 21.5 1.0 NZ B:LYS140 4.2 26.2 1.0 NH2 B:ARG81 4.6 21.3 1.0 OG B:SER77 4.6 21.9 1.0 CB B:ASN291 4.6 23.2 1.0 CA B:SER77 4.6 22.0 1.0 O B:HOH652 4.7 23.6 1.0 N B:ASN291 4.7 22.3 1.0 CD B:LYS309 4.9 23.2 1.0 NE2 B:HIS233 4.9 22.5 1.0 N B:SER77 4.9 21.8 1.0 C B:ASP290 5.0 21.7 1.0 CA B:ASP290 5.0 21.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of PSS1_19B C77S in Complex with Iota- 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_19B C77S in Complex with Iota- Neocarratetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:18.8 occ:1.00 OD1 A:ASP37 1.9 23.7 1.0 OD1 A:ASP38 2.1 18.5 1.0 OD2 A:ASP290 2.1 23.3 1.0 CL A:CL502 2.3 30.2 1.0 OD1 A:ASN291 2.5 23.2 1.0 OD1 A:ASP290 2.5 18.9 1.0 CG A:ASP290 2.6 20.6 1.0 CG A:ASP37 3.1 22.6 1.0 CG A:ASP38 3.1 19.7 1.0 CG A:ASN291 3.3 19.3 1.0 ND2 A:ASN291 3.5 19.4 1.0 N A:ASP38 3.6 18.7 1.0 OD2 A:ASP37 3.8 24.4 1.0 OD2 A:ASP38 3.8 19.1 1.0 CB A:SER77 4.0 21.8 1.0 CB A:ASP38 4.1 18.3 1.0 CB A:ASP290 4.1 20.3 1.0 CA A:ASP37 4.1 20.1 1.0 NZ A:LYS309 4.1 21.2 1.0 CA A:ASP38 4.1 18.2 1.0 CB A:ASP37 4.1 21.4 1.0 C A:ASP37 4.2 19.6 1.0 CE A:LYS309 4.2 19.6 1.0 CD2 A:HIS233 4.2 19.9 1.0 NZ A:LYS140 4.2 23.5 1.0 OG A:SER77 4.5 23.5 1.0 CA A:SER77 4.5 20.8 1.0 NH2 A:ARG81 4.5 18.6 1.0 O A:HOH663 4.7 35.5 1.0 CB A:ASN291 4.7 18.7 1.0 N A:SER77 4.8 21.1 1.0 N A:ASN291 4.8 17.4 1.0 CD A:LYS309 4.9 20.2 1.0 O7 A:G4S505 4.9 28.4 1.0 NE2 A:HIS233 4.9 19.3 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.