Chlorine 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:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of PSS1_19B C77S in Complex with Iota- Neocarratetraose, PDB code: 6pso:
Jump to Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl502 b:27.6 occ:1.00 CA B:CA501 2.3 16.4 1.0 NZ B:LYS140 3.1 26.2 1.0 OD1 B:ASP37 3.1 24.0 1.0 NZ B:LYS309 3.1 24.1 1.0 O7 B:G4S505 3.2 24.7 1.0 CB B:SER77 3.2 21.7 1.0 O B:HOH652 3.2 23.6 1.0 CD2 B:HIS233 3.3 21.5 1.0 OD1 B:ASP38 3.3 21.9 1.0 OD2 B:ASP290 3.4 22.4 1.0 NE2 B:HIS233 3.4 22.5 1.0 CE B:LYS309 3.6 25.2 1.0 OD1 B:ASN291 3.7 26.2 1.0 OG B:SER77 3.8 21.9 1.0 CG B:ASP37 3.9 24.4 1.0 OD2 B:ASP38 3.9 20.6 1.0 CG B:ASP38 3.9 21.6 1.0 OD2 B:ASP37 3.9 21.7 1.0 S B:G4S505 4.1 25.6 1.0 O9 B:G4S505 4.2 28.7 1.0 CA B:SER77 4.3 22.0 1.0 CG B:ASP290 4.4 22.6 1.0 N B:SER77 4.5 21.8 1.0 CE B:LYS140 4.5 24.1 1.0 O8 B:G4S505 4.5 25.6 1.0 CG B:HIS233 4.6 20.6 1.0 OD1 B:ASP290 4.7 22.5 1.0 CG B:ASN291 4.7 24.2 1.0 CE1 B:HIS233 4.8 22.3 1.0 CD B:LYS309 4.8 23.2 1.0 O B:GLY165 4.9 23.0 1.0 ND2 B:ASN291 4.9 23.3 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl502 b:30.2 occ:1.00 CA A:CA501 2.3 18.8 1.0 O7 A:G4S505 2.8 28.4 1.0 NZ A:LYS140 3.0 23.5 1.0 CB A:SER77 3.1 21.8 1.0 OD1 A:ASP37 3.1 23.7 1.0 NZ A:LYS309 3.1 21.2 1.0 O A:HOH663 3.2 35.5 1.0 CD2 A:HIS233 3.3 19.9 1.0 OD1 A:ASP38 3.4 18.5 1.0 NE2 A:HIS233 3.4 19.3 1.0 OD2 A:ASP290 3.5 23.3 1.0 OG A:SER77 3.7 23.5 1.0 CE A:LYS309 3.7 19.6 1.0 OD1 A:ASN291 3.8 23.2 1.0 OD2 A:ASP37 3.8 24.4 1.0 CG A:ASP37 3.9 22.6 1.0 OD2 A:ASP38 4.0 19.1 1.0 CG A:ASP38 4.0 19.7 1.0 S A:G4S505 4.0 25.8 1.0 O9 A:G4S505 4.1 27.4 1.0 CA A:SER77 4.2 20.8 1.0 O8 A:G4S505 4.4 27.1 1.0 N A:SER77 4.4 21.1 1.0 CE A:LYS140 4.4 23.2 1.0 CG A:ASP290 4.5 20.6 1.0 CG A:HIS233 4.6 19.6 1.0 CE1 A:HIS233 4.7 20.8 1.0 OD1 A:ASP290 4.8 18.9 1.0 CG A:ASN291 4.8 19.3 1.0 O A:GLY165 4.9 18.9 1.0 CD A:LYS309 4.9 20.2 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.