Zinc in PDB 6psm: Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose

The structure of Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose, PDB code: 6psm 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)	48.19 / 1.95
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	93.050, 93.050, 300.210, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 21.2

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

Chlorine	(Cl)	6 atoms
Calcium	(Ca)	6 atoms

The binding sites of Zinc atom in the Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose (pdb code 6psm). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose, PDB code: 6psm:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn505 b:22.6 occ:1.00 O A:HOH618 1.9 17.8 1.0 OD1 A:ASP280 2.1 22.2 1.0 O A:HOH602 2.1 22.5 1.0 CG A:ASP280 2.8 21.6 1.0 OD2 A:ASP280 3.0 24.7 1.0 ZN A:ZN506 3.3 23.3 1.0 OD1 A:ASP281 3.7 19.2 1.0 O A:LYS275 4.2 24.1 1.0 CG A:ASP281 4.2 18.0 1.0 O A:HOH729 4.3 22.8 1.0 CB A:ASP280 4.3 20.0 1.0 CA A:LYS275 4.4 25.3 1.0 OD2 A:ASP281 4.5 20.1 1.0 N A:ASP281 4.5 18.0 1.0 N A:ASP280 4.5 17.8 1.0 CA A:GLY278 4.6 18.2 1.0 CG A:LYS275 4.8 32.7 1.0 CA A:ASP280 4.8 17.7 1.0 C A:LYS275 4.8 26.4 1.0 C A:GLY278 4.9 19.0 1.0 CB A:LYS275 5.0 28.0 1.0 C A:ASP280 5.0 18.2 1.0

Zinc binding site 2 out of 6 in the Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn506 b:23.3 occ:1.00 OD1 A:ASP281 2.0 19.2 1.0 O A:HOH618 2.0 17.8 1.0 CG A:ASP281 3.0 18.0 1.0 ZN A:ZN505 3.3 22.6 1.0 OD2 A:ASP281 3.3 20.1 1.0 OD2 A:ASP280 3.7 24.7 1.0 O A:HOH737 4.1 20.1 1.0 CB A:ASP281 4.3 18.7 1.0 CG A:ASP280 4.4 21.6 1.0 OD1 A:ASP280 4.5 22.2 1.0 CA A:ASP281 4.6 17.8 1.0 N A:ASP281 4.7 18.0 1.0 CB A:PRO326 4.8 18.4 1.0

Zinc binding site 3 out of 6 in the Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn503 b:20.7 occ:1.00 O D:HOH642 1.9 17.4 1.0 OD1 D:ASP280 2.1 20.9 1.0 CG D:ASP280 2.9 21.0 1.0 OD2 D:ASP280 3.1 22.3 1.0 ZN D:ZN504 3.3 22.6 1.0 O D:HOH714 3.7 30.8 1.0 OD1 D:ASP281 3.8 19.5 1.0 O D:LYS275 4.2 22.6 1.0 CB D:ASP280 4.3 20.8 1.0 CG D:ASP281 4.3 20.4 1.0 CA D:GLY278 4.4 17.2 1.0 CA D:LYS275 4.4 22.5 1.0 N D:ASP281 4.4 18.3 1.0 N D:ASP280 4.5 20.4 1.0 OD2 D:ASP281 4.7 20.6 1.0 CA D:ASP280 4.8 19.8 1.0 C D:GLY278 4.8 18.6 1.0 C D:LYS275 4.8 23.5 1.0 CG D:LYS275 4.9 23.7 1.0 C D:ASP280 5.0 18.1 1.0 N D:LEU279 5.0 18.7 1.0

Zinc binding site 4 out of 6 in the Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn504 b:22.6 occ:1.00 OD1 D:ASP281 1.9 19.5 1.0 CG D:ASP281 2.9 20.4 1.0 OD2 D:ASP281 3.2 20.6 1.0 ZN D:ZN503 3.3 20.7 1.0 OD2 D:ASP280 3.7 22.3 1.0 O D:HOH714 3.9 30.8 1.0 CB D:ASP281 4.3 20.5 1.0 CG D:ASP280 4.4 21.0 1.0 OD1 D:ASP280 4.5 20.9 1.0 CA D:ASP281 4.6 19.1 1.0 N D:ASP281 4.7 18.3 1.0 CB D:PRO326 4.9 15.6 1.0 O D:HOH642 4.9 17.4 1.0

Zinc binding site 5 out of 6 in the Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn503 b:22.6 occ:1.00 O E:HOH655 2.0 22.9 1.0 OD1 E:ASP280 2.1 19.7 1.0 CG E:ASP280 2.9 19.8 1.0 OD2 E:ASP280 3.1 20.2 1.0 ZN E:ZN504 3.3 21.6 1.0 OD1 E:ASP281 3.8 19.7 1.0 O E:LYS275 4.2 20.1 1.0 CG E:ASP281 4.3 18.9 1.0 CB E:ASP280 4.3 18.5 1.0 CA E:GLY278 4.4 18.9 1.0 CA E:LYS275 4.5 24.0 1.0 N E:ASP281 4.5 18.8 1.0 N E:ASP280 4.5 18.1 1.0 OD2 E:ASP281 4.6 18.0 1.0 C E:GLY278 4.8 18.8 1.0 CA E:ASP280 4.8 19.4 1.0 CG E:LYS275 4.8 31.6 1.0 C E:LYS275 4.8 22.9 1.0

Zinc binding site 6 out of 6 in the Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of PSS1_19B C77S in Complex with Kappa-Neocarrabiose within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn504 b:21.6 occ:1.00 OD1 E:ASP281 1.9 19.7 1.0 CG E:ASP281 2.9 18.9 1.0 OD2 E:ASP281 3.2 18.0 1.0 ZN E:ZN503 3.3 22.6 1.0 OD2 E:ASP280 3.7 20.2 1.0 O E:HOH742 4.2 20.7 1.0 CB E:ASP281 4.2 18.8 1.0 CG E:ASP280 4.4 19.8 1.0 OD1 E:ASP280 4.4 19.7 1.0 CA E:ASP281 4.6 18.9 1.0 N E:ASP281 4.7 18.8 1.0 CB E:PRO326 4.9 16.7 1.0 O E:HOH655 5.0 22.9 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.