Calcium in PDB 4cyr: G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa

All present enzymatic activity of G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa:
3.1.6.1;

The structure of G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, PDB code: 4cyr was solved by C.M.Miton, S.Jonas, M.F.Mohammed, G.Fischer, B.V.Loo, B.Kintses, M.Hyvonen, N.Tokuriki, F.Hollfelder, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.03 / 1.72
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	188.496, 67.682, 89.518, 90.00, 93.93, 90.00
R / Rfree (%)	17.602 / 20.306

The binding sites of Calcium atom in the G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa (pdb code 4cyr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, PDB code: 4cyr:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1537 b:21.9 occ:1.00 OD2 A:ASP317 2.3 11.4 1.0 OD1 A:ASP14 2.3 8.6 1.0 OD1 A:ASP13 2.3 9.0 1.0 OG2 A:DDZ51 2.4 11.0 1.0 OD1 A:ASP317 2.5 10.3 1.0 OD1 A:ASN318 2.6 9.9 1.0 CG A:ASP317 2.7 10.3 1.0 CB A:DDZ51 3.1 13.9 1.0 CG A:ASN318 3.4 10.6 1.0 CG A:ASP14 3.5 7.4 1.0 CG A:ASP13 3.6 9.1 1.0 N A:ASP14 3.6 8.5 1.0 ND2 A:ASN318 3.6 11.2 1.0 CA A:DDZ51 3.8 12.9 1.0 C A:ASP13 4.0 8.3 1.0 CA A:ASP13 4.1 8.5 1.0 OG1 A:DDZ51 4.1 14.0 1.0 N A:DDZ51 4.1 12.5 1.0 OD2 A:ASP14 4.2 7.0 1.0 CB A:ASP317 4.2 9.8 1.0 CA A:ASP14 4.2 8.8 1.0 CD2 A:HIS211 4.3 7.8 1.0 NH2 A:ARG55 4.3 10.3 1.0 NZ A:LYS113 4.4 16.0 1.0 CB A:ASP14 4.4 8.7 1.0 CB A:ASP13 4.4 8.9 1.0 OD2 A:ASP13 4.4 9.7 1.0 CE A:LYS375 4.4 10.0 1.0 O3 A:SO41539 4.5 48.0 1.0 NZ A:LYS375 4.6 9.8 1.0 O4 A:SO41539 4.6 64.2 1.0 CB A:ASN318 4.8 10.3 1.0 O A:ASP13 4.9 9.8 1.0 C A:ASP317 4.9 10.4 1.0 N A:ASN318 5.0 9.5 1.0 O1 A:SO41539 5.0 52.7 1.0 NE2 A:HIS211 5.0 7.8 1.0

Calcium binding site 2 out of 2 in the G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1533 b:23.9 occ:1.00 OD2 B:ASP317 2.3 11.5 1.0 OD1 B:ASP14 2.3 9.5 1.0 OD1 B:ASP13 2.3 9.4 1.0 OG2 B:DDZ51 2.4 11.1 1.0 OD1 B:ASP317 2.5 10.3 1.0 OD1 B:ASN318 2.6 9.3 1.0 CG B:ASP317 2.8 10.5 1.0 CB B:DDZ51 3.1 13.4 1.0 CG B:ASN318 3.4 9.7 1.0 CG B:ASP14 3.5 8.1 1.0 CG B:ASP13 3.6 9.3 1.0 ND2 B:ASN318 3.6 9.8 1.0 N B:ASP14 3.6 9.1 1.0 CA B:DDZ51 3.8 12.9 1.0 C B:ASP13 4.0 8.8 1.0 CA B:ASP13 4.1 9.3 1.0 OG1 B:DDZ51 4.1 11.7 1.0 N B:DDZ51 4.1 12.3 1.0 OD2 B:ASP14 4.2 7.2 1.0 CB B:ASP317 4.2 9.5 1.0 CA B:ASP14 4.3 9.3 1.0 CD2 B:HIS211 4.3 8.7 1.0 NZ B:LYS113 4.3 13.4 1.0 NH2 B:ARG55 4.4 10.4 1.0 CB B:ASP14 4.4 9.1 1.0 CE B:LYS375 4.4 10.5 1.0 O2 B:SO41530 4.4 42.9 1.0 CB B:ASP13 4.4 9.3 1.0 OD2 B:ASP13 4.4 9.2 1.0 NZ B:LYS375 4.6 10.3 1.0 CB B:ASN318 4.8 9.8 1.0 O1 B:SO41530 4.8 60.5 1.0 O4 B:SO41530 4.8 53.0 1.0 O B:ASP13 4.9 9.6 1.0 C B:ASP317 5.0 9.9 1.0 NE2 B:HIS211 5.0 8.8 1.0

C.M.Miton, S.Jonas, M.F.Mohammed, G.Fischer, B.V.Loo, B.Kintsesm.Hyvonen, N.Tokuriki, F.Hollfelder. G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa To Be Published.