Calcium in PDB 7aj0: Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp.

The structure of Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp., PDB code: 7aj0 was solved by T.Roret, M.D.Mikkelsen, M.Czjzek, A.S.Meyer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.66 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.198, 182.337, 209.855, 90, 90, 90
R / Rfree (%)	17.2 / 21

The structure of Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp. also contains other interesting chemical elements:

Chlorine

(Cl)

12 atoms

The binding sites of Calcium atom in the Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp. (pdb code 7aj0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp., PDB code: 7aj0:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp.


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 PSFUCS1 Sulfatase From Pseudoalteromonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca600 b:22.1 occ:1.00 OD2 A:ASP334 2.2 22.2 1.0 OD1 A:ASP69 2.2 25.2 1.0 OD1 A:ASP70 2.3 22.2 1.0 OD1 A:ASN335 2.4 22.0 1.0 SG A:CYS111 2.6 51.6 1.0 OD1 A:ASP334 2.6 21.8 1.0 CG A:ASP334 2.7 21.9 1.0 HD21 A:ASN335 2.9 41.8 1.0 HZ3 A:LYS166 3.1 71.9 1.0 H A:ASP70 3.1 26.1 1.0 HA A:CYS111 3.2 27.3 1.0 CG A:ASN335 3.2 22.3 1.0 HG A:CYS111 3.3 62.0 1.0 CG A:ASP70 3.4 22.3 1.0 CG A:ASP69 3.4 22.6 1.0 ND2 A:ASN335 3.4 34.8 1.0 HH21 A:ARG115 3.4 30.5 1.0 HE3 A:LYS354 3.4 29.1 1.0 CB A:CYS111 3.5 29.9 1.0 HZ1 A:LYS166 3.5 71.9 1.0 HB3 A:CYS111 3.6 36.0 1.0 HZ2 A:LYS166 3.6 71.9 1.0 NZ A:LYS166 3.6 59.9 1.0 N A:ASP70 3.7 21.8 1.0 HE A:ARG115 3.7 30.0 1.0 HZ2 A:LYS354 3.8 32.5 1.0 CA A:CYS111 3.8 22.8 1.0 HD2 A:HIS281 3.8 27.9 1.0 HA A:ASP69 3.9 26.4 1.0 HZ1 A:LYS354 3.9 32.5 1.0 OD2 A:ASP69 4.0 30.1 1.0 HA A:ASP70 4.0 26.0 1.0 OD2 A:ASP70 4.1 22.6 1.0 NZ A:LYS354 4.1 27.1 1.0 CB A:ASP334 4.2 21.8 1.0 CE A:LYS354 4.2 24.2 1.0 HD22 A:ASN335 4.2 41.8 1.0 NH2 A:ARG115 4.3 25.4 1.0 CA A:ASP70 4.3 21.8 1.0 N A:CYS111 4.3 25.0 1.0 H A:CYS111 4.4 30.0 1.0 HB2 A:CYS111 4.4 36.0 1.0 CB A:ASP70 4.4 22.1 1.0 CA A:ASP69 4.4 22.1 1.0 C A:ASP69 4.4 23.0 1.0 HB2 A:ASP334 4.4 26.1 1.0 CB A:ASP69 4.5 22.4 1.0 NE A:ARG115 4.5 25.0 1.0 H A:ASN335 4.6 25.6 1.0 HB3 A:ASP334 4.6 26.1 1.0 CB A:ASN335 4.6 21.6 1.0 CD2 A:HIS281 4.6 23.3 1.0 N A:ASN335 4.7 21.4 1.0 HD2 A:LYS354 4.7 26.9 1.0 HB2 A:ASP70 4.8 26.4 1.0 HB3 A:ASN335 4.8 25.9 1.0 C A:ASP334 4.8 21.5 1.0 HH22 A:ARG115 4.8 30.5 1.0 HE2 A:LYS354 4.9 29.1 1.0 CZ A:ARG115 4.9 22.7 1.0 H A:ASP334 4.9 25.6 1.0

Calcium binding site 2 out of 6 in the Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp.


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 PSFUCS1 Sulfatase From Pseudoalteromonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca600 b:22.1 occ:1.00 OD1 B:ASP69 2.2 24.6 1.0 OD2 B:ASP334 2.2 23.5 1.0 OD1 B:ASP70 2.3 23.2 1.0 OD1 B:ASN335 2.4 30.8 1.0 SG B:CYS111 2.5 33.5 1.0 OD1 B:ASP334 2.6 23.1 1.0 CG B:ASP334 2.7 23.3 1.0 H B:ASP70 3.0 27.3 1.0 HG B:CYS111 3.1 40.3 1.0 CG B:ASP69 3.2 23.6 1.0 HD21 B:ASN335 3.3 34.3 1.0 CG B:ASN335 3.4 23.1 1.0 HA B:CYS111 3.4 28.9 1.0 CG B:ASP70 3.4 31.4 1.0 HH21 B:ARG115 3.4 28.4 1.0 HE3 B:LYS354 3.4 32.8 1.0 N B:ASP70 3.6 22.9 1.0 HZ2 B:LYS354 3.6 43.2 1.0 HD2 B:HIS281 3.6 28.7 1.0 CB B:CYS111 3.6 24.3 1.0 ND2 B:ASN335 3.7 28.6 1.0 HA B:ASP69 3.8 27.7 1.0 HE2 B:LYS166 3.8 31.3 1.0 OD2 B:ASP69 3.8 32.4 1.0 HB3 B:CYS111 3.8 29.1 1.0 HZ1 B:LYS354 3.8 43.2 1.0 CA B:CYS111 3.9 24.2 1.0 HE B:ARG115 3.9 28.9 1.0 HA B:ASP70 4.0 27.2 1.0 NZ B:LYS354 4.0 36.0 1.0 OD2 B:ASP70 4.1 23.4 1.0 CE B:LYS354 4.2 27.3 1.0 CA B:ASP70 4.2 22.8 1.0 CB B:ASP334 4.2 23.3 1.0 NH2 B:ARG115 4.3 23.8 1.0 CA B:ASP69 4.3 23.1 1.0 C B:ASP69 4.4 22.9 1.0 N B:CYS111 4.4 24.1 1.0 CB B:ASP69 4.4 23.4 1.0 CB B:ASP70 4.4 25.8 1.0 H B:CYS111 4.4 28.9 1.0 HB2 B:CYS111 4.5 29.1 1.0 CD2 B:HIS281 4.5 24.0 1.0 HB2 B:ASP334 4.5 27.9 1.0 HD22 B:ASN335 4.5 34.3 1.0 HZ1 B:LYS166 4.5 46.2 1.0 H B:ASN335 4.6 27.3 1.0 HD2 B:LYS354 4.6 28.1 1.0 HB3 B:ASP334 4.7 27.9 1.0 CB B:ASN335 4.7 23.0 1.0 CE B:LYS166 4.7 26.1 1.0 N B:ASN335 4.7 22.8 1.0 NE B:ARG115 4.7 24.1 1.0 HB2 B:ASP70 4.8 31.0 1.0 HZ3 B:LYS166 4.8 46.2 1.0 HB3 B:ASN335 4.8 27.5 1.0 HH22 B:ARG115 4.8 28.4 1.0 HB3 B:ASP69 4.8 28.0 1.0 C B:ASP334 4.9 23.0 1.0 HE2 B:LYS354 4.9 32.8 1.0 HZ3 B:LYS354 4.9 43.2 1.0 NZ B:LYS166 4.9 38.5 1.0

Calcium binding site 3 out of 6 in the Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca600 b:32.0 occ:1.00 OD1 C:ASP70 2.2 23.3 1.0 OD2 C:ASP334 2.2 26.3 1.0 OD1 C:ASP69 2.2 31.2 1.0 SG C:CYS111 2.5 33.0 1.0 OD1 C:ASN335 2.7 33.0 1.0 OD1 C:ASP334 2.8 27.3 1.0 CG C:ASP334 2.8 23.4 1.0 HD21 C:ASN335 2.9 27.6 1.0 HA C:CYS111 3.1 34.5 1.0 H C:ASP70 3.2 27.5 1.0 HZ3 C:LYS166 3.2 69.0 1.0 HG C:CYS111 3.3 39.7 1.0 CG C:ASP70 3.3 23.4 1.0 CG C:ASN335 3.4 23.1 1.0 HE3 C:LYS354 3.4 28.7 1.0 ND2 C:ASN335 3.4 23.0 1.0 CG C:ASP69 3.4 23.8 1.0 CB C:CYS111 3.4 32.8 1.0 HZ1 C:LYS166 3.5 69.0 1.0 HB3 C:CYS111 3.5 39.4 1.0 HH21 C:ARG115 3.5 28.6 1.0 HD2 C:HIS281 3.6 39.0 1.0 HZ2 C:LYS354 3.7 37.5 1.0 NZ C:LYS166 3.7 57.5 1.0 CA C:CYS111 3.7 28.7 1.0 N C:ASP70 3.7 23.0 1.0 HZ1 C:LYS354 3.8 37.5 1.0 HZ2 C:LYS166 3.8 69.0 1.0 HE C:ARG115 3.8 45.0 1.0 HA C:ASP69 3.9 27.9 1.0 OD2 C:ASP70 4.0 23.6 1.0 NZ C:LYS354 4.0 31.2 1.0 OD2 C:ASP69 4.1 31.1 1.0 HA C:ASP70 4.1 27.4 1.0 CE C:LYS354 4.2 24.0 1.0 N C:CYS111 4.2 36.6 1.0 HD22 C:ASN335 4.2 27.6 1.0 H C:CYS111 4.2 44.0 1.0 CB C:ASP334 4.3 23.4 1.0 CA C:ASP70 4.3 22.9 1.0 HB2 C:CYS111 4.3 39.4 1.0 CB C:ASP70 4.4 23.1 1.0 NH2 C:ARG115 4.4 23.9 1.0 HB2 C:ASP334 4.5 27.9 1.0 C C:ASP69 4.5 23.1 1.0 CA C:ASP69 4.5 23.3 1.0 CD2 C:HIS281 4.5 32.5 1.0 CB C:ASP69 4.6 23.7 1.0 NE C:ARG115 4.6 37.5 1.0 H C:ASN335 4.7 27.2 1.0 HB2 C:ASP70 4.7 27.7 1.0 CB C:ASN335 4.8 22.9 1.0 N C:ASN335 4.8 22.8 1.0 HB3 C:ASP334 4.8 27.9 1.0 HD2 C:LYS354 4.8 28.4 1.0 HE2 C:LYS354 4.8 28.7 1.0 C C:ASP334 4.9 23.0 1.0 HZ3 C:LYS354 4.9 37.5 1.0 HH22 C:ARG115 5.0 28.6 1.0 C C:THR110 5.0 24.2 1.0

Calcium binding site 4 out of 6 in the Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca601 b:22.1 occ:1.00 OD1 D:ASP69 2.1 27.9 1.0 OD1 D:ASP70 2.2 21.2 1.0 OD2 D:ASP334 2.2 21.2 1.0 SG D:CYS111 2.5 23.0 1.0 OD1 D:ASN335 2.5 28.4 1.0 OD1 D:ASP334 2.6 20.9 1.0 CG D:ASP334 2.7 21.0 1.0 HD21 D:ASN335 2.9 25.1 1.0 H D:ASP70 3.0 24.9 1.0 HG D:CYS111 3.2 27.6 1.0 HA D:CYS111 3.3 26.2 1.0 CG D:ASN335 3.3 21.0 1.0 CG D:ASP70 3.3 22.4 1.0 CG D:ASP69 3.3 21.4 1.0 ND2 D:ASN335 3.4 21.0 1.0 HE3 D:LYS354 3.4 26.3 1.0 HH21 D:ARG115 3.4 25.6 1.0 CB D:CYS111 3.5 23.6 1.0 N D:ASP70 3.6 20.8 1.0 HD2 D:HIS281 3.7 26.4 1.0 HB3 D:CYS111 3.7 28.3 1.0 HA D:ASP69 3.8 25.1 1.0 HE D:ARG115 3.8 26.0 1.0 CA D:CYS111 3.8 21.9 1.0 HZ2 D:LYS354 3.8 50.6 1.0 HZ1 D:LYS166 3.9 48.9 1.0 HZ2 D:LYS166 3.9 48.9 1.0 HZ1 D:LYS354 4.0 50.6 1.0 HA D:ASP70 4.0 24.9 1.0 OD2 D:ASP70 4.0 21.5 1.0 OD2 D:ASP69 4.0 24.7 1.0 NZ D:LYS354 4.2 42.2 1.0 HD22 D:ASN335 4.2 25.1 1.0 CA D:ASP70 4.2 20.8 1.0 CE D:LYS354 4.2 21.9 1.0 CB D:ASP334 4.2 20.9 1.0 N D:CYS111 4.2 32.5 1.0 H D:CYS111 4.3 39.0 1.0 NH2 D:ARG115 4.3 21.4 1.0 CB D:ASP70 4.3 21.7 1.0 NZ D:LYS166 4.3 40.8 1.0 C D:ASP69 4.3 20.9 1.0 CA D:ASP69 4.4 21.0 1.0 HB2 D:CYS111 4.4 28.3 1.0 CB D:ASP69 4.4 21.3 1.0 HB2 D:ASP334 4.5 25.0 1.0 CD2 D:HIS281 4.6 22.1 1.0 NE D:ARG115 4.6 21.7 1.0 H D:ASN335 4.6 24.6 1.0 CB D:ASN335 4.7 20.9 1.0 N D:ASN335 4.7 20.6 1.0 HB2 D:ASP70 4.7 26.1 1.0 HB3 D:ASP334 4.7 25.0 1.0 C D:ASP334 4.8 20.7 1.0 HD2 D:LYS354 4.8 27.3 1.0 HE2 D:LYS354 4.8 26.3 1.0 HH22 D:ARG115 4.9 25.6 1.0 HB3 D:ASN335 4.9 25.0 1.0 HZ3 D:LYS166 4.9 48.9 1.0 HE3 D:LYS166 4.9 43.9 1.0 CZ D:ARG115 5.0 21.6 1.0 HB3 D:ASP69 5.0 25.4 1.0 H D:ASP334 5.0 24.6 1.0

Calcium binding site 5 out of 6 in the Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca600 b:22.7 occ:1.00 OD2 E:ASP334 2.2 23.7 1.0 OD1 E:ASP69 2.2 23.9 1.0 OD1 E:ASP70 2.3 23.5 1.0 OD1 E:ASN335 2.4 27.4 1.0 SG E:CYS111 2.5 31.3 1.0 OD1 E:ASP334 2.6 23.4 1.0 CG E:ASP334 2.7 23.5 1.0 HD21 E:ASN335 3.0 27.7 1.0 H E:ASP70 3.1 27.8 1.0 HA E:CYS111 3.2 41.3 1.0 CG E:ASN335 3.2 23.3 1.0 HZ3 E:LYS166 3.3 75.4 1.0 HH21 E:ARG115 3.4 32.9 1.0 HE3 E:LYS354 3.4 28.7 1.0 CG E:ASP69 3.4 24.0 1.0 CG E:ASP70 3.4 23.5 1.0 ND2 E:ASN335 3.4 23.2 1.0 HG E:CYS111 3.5 37.6 1.0 HZ1 E:LYS166 3.5 75.4 1.0 CB E:CYS111 3.6 24.9 1.0 N E:ASP70 3.6 23.2 1.0 HD2 E:HIS281 3.7 34.7 1.0 NZ E:LYS166 3.7 62.8 1.0 CA E:CYS111 3.8 34.4 1.0 HA E:ASP69 3.8 28.1 1.0 HB3 E:CYS111 3.8 29.9 1.0 HZ2 E:LYS354 3.8 50.6 1.0 HE E:ARG115 3.9 29.2 1.0 HZ2 E:LYS166 3.9 75.4 1.0 HZ1 E:LYS354 3.9 50.6 1.0 HA E:ASP70 4.0 27.6 1.0 OD2 E:ASP69 4.1 28.6 1.0 NZ E:LYS354 4.2 42.1 1.0 OD2 E:ASP70 4.2 23.8 1.0 CB E:ASP334 4.2 24.4 1.0 CE E:LYS354 4.2 24.0 1.0 N E:CYS111 4.2 24.3 1.0 H E:CYS111 4.2 29.1 1.0 CA E:ASP70 4.2 23.1 1.0 NH2 E:ARG115 4.3 27.4 1.0 HD22 E:ASN335 4.3 27.7 1.0 CA E:ASP69 4.4 23.5 1.0 C E:ASP69 4.4 23.4 1.0 HB2 E:ASP334 4.4 29.3 1.0 CB E:ASP70 4.4 30.6 1.0 HB2 E:CYS111 4.5 29.9 1.0 CB E:ASP69 4.5 23.9 1.0 CB E:ASN335 4.6 23.1 1.0 H E:ASN335 4.6 31.4 1.0 CD2 E:HIS281 4.6 28.9 1.0 NE E:ARG115 4.6 24.4 1.0 HB3 E:ASP334 4.6 29.3 1.0 N E:ASN335 4.7 26.2 1.0 HB3 E:ASN335 4.8 27.6 1.0 HD2 E:LYS354 4.8 28.4 1.0 C E:ASP334 4.8 23.1 1.0 HH22 E:ARG115 4.8 32.9 1.0 HB2 E:ASP70 4.8 36.8 1.0 HE2 E:LYS354 4.8 28.7 1.0 H E:ASP334 5.0 27.6 1.0 CZ E:ARG115 5.0 25.2 1.0

Calcium binding site 6 out of 6 in the Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of PSFUCS1 Sulfatase From Pseudoalteromonas Sp. within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca600 b:22.2 occ:1.00 OD2 F:ASP334 2.1 23.3 1.0 OD1 F:ASP69 2.2 29.1 1.0 OD1 F:ASP70 2.2 23.3 1.0 SG F:CYS111 2.5 24.8 1.0 OD1 F:ASN335 2.5 23.2 1.0 OD1 F:ASP334 2.7 25.1 1.0 CG F:ASP334 2.7 23.1 1.0 HD21 F:ASN335 3.0 27.6 1.0 H F:ASP70 3.1 27.6 1.0 HZ3 F:LYS166 3.2 64.8 1.0 HA F:CYS111 3.3 35.4 1.0 HG F:CYS111 3.3 29.7 1.0 CG F:ASN335 3.3 23.1 1.0 HH21 F:ARG115 3.3 37.8 1.0 HE3 F:LYS354 3.4 28.6 1.0 CG F:ASP69 3.4 23.6 1.0 CG F:ASP70 3.4 28.4 1.0 ND2 F:ASN335 3.5 23.1 1.0 CB F:CYS111 3.6 37.3 1.0 N F:ASP70 3.7 23.0 1.0 HZ1 F:LYS166 3.7 64.8 1.0 HZ1 F:LYS354 3.7 37.5 1.0 NZ F:LYS166 3.7 54.0 1.0 HZ2 F:LYS166 3.7 64.8 1.0 HD2 F:HIS281 3.7 29.0 1.0 HE F:ARG115 3.8 32.8 1.0 HB3 F:CYS111 3.8 44.8 1.0 HA F:ASP69 3.8 28.2 1.0 CA F:CYS111 3.8 29.5 1.0 HZ2 F:LYS354 3.9 37.5 1.0 OD2 F:ASP69 4.0 30.0 1.0 HA F:ASP70 4.1 27.5 1.0 NZ F:LYS354 4.1 31.3 1.0 OD2 F:ASP70 4.1 23.7 1.0 CE F:LYS354 4.1 23.9 1.0 NH2 F:ARG115 4.2 31.4 1.0 CB F:ASP334 4.2 23.1 1.0 CA F:ASP70 4.3 23.0 1.0 HD22 F:ASN335 4.3 27.6 1.0 N F:CYS111 4.3 24.0 1.0 CB F:ASP70 4.4 23.8 1.0 CA F:ASP69 4.4 23.4 1.0 HB2 F:ASP334 4.4 27.6 1.0 HB2 F:CYS111 4.4 44.8 1.0 C F:ASP69 4.5 23.1 1.0 H F:CYS111 4.5 28.7 1.0 CB F:ASP69 4.5 23.5 1.0 NE F:ARG115 4.6 27.3 1.0 CD2 F:HIS281 4.6 24.2 1.0 H F:ASN335 4.7 27.1 1.0 CB F:ASN335 4.7 22.9 1.0 HB3 F:ASP334 4.7 27.6 1.0 HD2 F:LYS354 4.7 28.4 1.0 N F:ASN335 4.7 22.7 1.0 HH22 F:ARG115 4.7 37.8 1.0 HE2 F:LYS354 4.8 28.6 1.0 HB2 F:ASP70 4.8 28.6 1.0 C F:ASP334 4.8 22.8 1.0 HB3 F:ASN335 4.9 27.4 1.0 CZ F:ARG115 4.9 23.7 1.0 HZ3 F:LYS354 4.9 37.5 1.0

M.D.Mikkelsen, H.T.T.Cao, N.Rhein-Knudsen, T.Roret, J.Holck, M.J.Lezyk, J.Muschiol, T.T.T.Van, M.Czjzek, A.S.Meyer. Characterization of A Thermostable Fucoidan Active Sulfatase From Pseudoalteromonas Sp. To Be Published.