Calcium in PDB 4cxs: G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, in Complex with Phenylphosphonic Acid

All present enzymatic activity of G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, in Complex with Phenylphosphonic Acid:
3.1.6.1;

The structure of G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, in Complex with Phenylphosphonic Acid, PDB code: 4cxs 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)	91.57 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	183.528, 66.183, 89.338, 90.00, 93.69, 90.00
R / Rfree (%)	20.335 / 24.379

The binding sites of Calcium atom in the G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, in Complex with Phenylphosphonic Acid (pdb code 4cxs). 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, in Complex with Phenylphosphonic Acid, PDB code: 4cxs:
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, in Complex with Phenylphosphonic Acid


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, in Complex with Phenylphosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1529 b:31.1 occ:1.00 OD2 A:ASP317 2.1 13.9 1.0 OD1 A:ASP14 2.4 10.9 1.0 OD1 A:ASP13 2.5 13.2 1.0 OD1 A:ASP317 2.5 13.9 1.0 OD1 A:ASN318 2.6 14.1 1.0 CG A:ASP317 2.6 13.9 1.0 OG2 A:DDZ51 2.6 13.1 1.0 CB A:DDZ51 3.1 13.5 1.0 CG A:ASN318 3.3 13.6 1.0 ND2 A:ASN318 3.4 13.8 1.0 CG A:ASP14 3.4 12.2 1.0 N A:ASP14 3.7 13.4 1.0 CG A:ASP13 3.7 13.8 1.0 CA A:DDZ51 3.8 13.4 1.0 OD2 A:ASP14 4.1 11.9 1.0 CB A:ASP317 4.1 13.2 1.0 N A:DDZ51 4.2 13.7 1.0 OG1 A:DDZ51 4.2 14.3 1.0 C A:ASP13 4.2 13.9 1.0 CA A:ASP13 4.2 13.2 1.0 OAC A:SV71531 4.3 25.4 1.0 CA A:ASP14 4.3 13.0 1.0 CE A:LYS375 4.3 16.3 1.0 CD2 A:HIS211 4.4 12.4 1.0 CB A:ASP14 4.4 12.5 1.0 NH2 A:ARG55 4.4 16.4 1.0 CB A:ASP13 4.6 13.3 1.0 OD2 A:ASP13 4.6 14.2 1.0 NZ A:LYS113 4.6 20.1 1.0 NZ A:LYS375 4.6 16.2 1.0 CB A:ASN318 4.7 14.0 1.0 N A:ASN318 4.8 14.8 1.0 C A:ASP317 4.8 14.7 1.0 CD A:LYS375 4.9 16.3 1.0 NE2 A:HIS211 5.0 13.0 1.0 CA A:ASP317 5.0 13.3 1.0 C A:ALA50 5.0 13.5 1.0

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


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, in Complex with Phenylphosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1529 b:32.7 occ:1.00 OD2 B:ASP317 2.2 14.9 1.0 OD1 B:ASP14 2.3 10.2 1.0 OD1 B:ASP13 2.5 11.9 1.0 OG2 B:DDZ51 2.6 13.1 1.0 OD1 B:ASN318 2.6 14.1 1.0 OD1 B:ASP317 2.7 15.9 1.0 CG B:ASP317 2.8 15.9 1.0 CB B:DDZ51 3.0 12.9 1.0 CG B:ASN318 3.3 14.8 1.0 CG B:ASP14 3.3 11.6 1.0 ND2 B:ASN318 3.4 15.0 1.0 CG B:ASP13 3.7 12.6 1.0 N B:ASP14 3.7 12.4 1.0 CA B:DDZ51 3.8 12.4 1.0 OD2 B:ASP14 4.0 11.6 1.0 N B:DDZ51 4.1 12.4 1.0 O B:DDZ51 4.1 14.1 1.0 C B:ASP13 4.2 12.8 1.0 OAA B:SV71533 4.2 33.6 1.0 CB B:ASP317 4.2 14.5 1.0 CA B:ASP13 4.2 12.3 1.0 CE B:LYS375 4.3 19.6 1.0 CD2 B:HIS211 4.3 11.7 1.0 CA B:ASP14 4.3 12.1 1.0 CB B:ASP14 4.4 11.8 1.0 NH2 B:ARG55 4.5 14.8 1.0 OD2 B:ASP13 4.6 12.2 1.0 NZ B:LYS375 4.6 19.4 1.0 NZ B:LYS113 4.6 17.3 1.0 CB B:ASP13 4.6 12.4 1.0 CB B:ASN318 4.7 15.3 1.0 CD B:LYS375 4.8 19.3 1.0 NE2 B:HIS211 4.9 12.3 1.0 N B:ASN318 4.9 15.6 1.0 C B:ASP317 5.0 15.8 1.0 C B:ALA50 5.0 12.5 1.0

C.M.Miton, S.Jonas, M.F.Mohammed, G.Fischer, B.V.Loo, B.Kintses. G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa,I To Be Published.