Calcium in PDB 4cxu: G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, in Complex with 3-Br-Phenolphenylphosphonate

All present enzymatic activity of G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, in Complex with 3-Br-Phenolphenylphosphonate:
3.1.6.1;

The structure of G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, in Complex with 3-Br-Phenolphenylphosphonate, PDB code: 4cxu 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)	93.99 / 2.03
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	188.374, 68.075, 89.550, 90.00, 93.73, 90.00
R / Rfree (%)	20.663 / 24.06

The structure of G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, in Complex with 3-Br-Phenolphenylphosphonate also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Calcium atom in the G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, in Complex with 3-Br-Phenolphenylphosphonate (pdb code 4cxu). 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 3-Br-Phenolphenylphosphonate, PDB code: 4cxu:
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 3-Br-Phenolphenylphosphonate


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 3-Br-Phenolphenylphosphonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1528 b:28.7 occ:1.00 OD2 A:ASP317 2.3 16.9 1.0 OD1 A:ASP317 2.3 14.8 1.0 OG1 A:DDZ51 2.4 15.6 1.0 OD1 A:ASP13 2.4 15.7 1.0 OD1 A:ASP14 2.5 10.2 1.0 OD1 A:ASN318 2.5 16.4 1.0 CG A:ASP317 2.6 16.0 1.0 CG A:ASN318 3.3 16.8 1.0 CB A:DDZ51 3.4 17.3 1.0 CG A:ASP14 3.5 12.0 1.0 ND2 A:ASN318 3.6 17.1 1.0 CG A:ASP13 3.6 16.0 1.0 N A:ASP14 3.7 13.4 1.0 CA A:DDZ51 3.8 17.6 1.0 OG2 A:DDZ51 3.9 17.7 1.0 CB A:ASP317 4.1 14.3 1.0 C A:ASP13 4.1 13.7 1.0 CA A:ASP13 4.2 13.6 1.0 N A:DDZ51 4.2 17.6 1.0 OD2 A:ASP14 4.2 13.1 1.0 NH2 A:ARG55 4.3 14.9 1.0 CA A:ASP14 4.4 13.7 1.0 CB A:ASP13 4.5 14.8 1.0 CB A:ASP14 4.5 12.8 1.0 OD2 A:ASP13 4.5 15.7 1.0 CD2 A:HIS211 4.6 12.5 1.0 CE A:LYS375 4.6 17.5 1.0 NZ A:LYS113 4.6 18.9 1.0 CB A:ASN318 4.7 16.6 1.0 NZ A:LYS375 4.7 19.3 1.0 OAH A:62Y1529 4.7 38.4 1.0 C A:ASP317 4.8 15.9 1.0 N A:ASN318 4.8 15.9 1.0 CA A:ASP317 5.0 15.2 1.0

Calcium binding site 2 out of 2 in the G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, in Complex with 3-Br-Phenolphenylphosphonate


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 3-Br-Phenolphenylphosphonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1528 b:32.8 occ:1.00 OD1 B:ASP14 2.3 15.9 1.0 OD2 B:ASP317 2.4 14.3 1.0 OG1 B:DDZ51 2.4 14.8 1.0 OD1 B:ASP13 2.4 15.0 1.0 OD1 B:ASP317 2.4 12.6 1.0 OD1 B:ASN318 2.5 16.3 1.0 CG B:ASP317 2.7 14.5 1.0 CG B:ASN318 3.3 17.4 1.0 CG B:ASP14 3.4 14.6 1.0 CB B:DDZ51 3.5 17.8 1.0 ND2 B:ASN318 3.5 18.0 1.0 CG B:ASP13 3.6 16.0 1.0 N B:ASP14 3.6 13.6 1.0 CA B:DDZ51 3.9 17.8 1.0 OG2 B:DDZ51 4.0 17.1 1.0 C B:ASP13 4.1 13.9 1.0 OD2 B:ASP14 4.1 13.9 1.0 CA B:ASP13 4.1 15.5 1.0 CB B:ASP317 4.3 12.4 1.0 N B:DDZ51 4.3 16.2 1.0 CA B:ASP14 4.3 13.3 1.0 CB B:ASP14 4.4 14.5 1.0 NH2 B:ARG55 4.4 15.1 1.0 CD2 B:HIS211 4.4 14.3 1.0 CB B:ASP13 4.5 15.1 1.0 CE B:LYS375 4.5 19.2 1.0 OD2 B:ASP13 4.5 15.6 1.0 OAH B:62Y1529 4.6 33.7 1.0 NZ B:LYS375 4.6 18.9 1.0 NZ B:LYS113 4.6 22.2 1.0 CB B:ASN318 4.7 16.7 1.0 O B:ASP13 4.9 13.4 1.0 N B:ASN318 4.9 16.9 1.0 C B:ASP317 4.9 16.6 1.0

C.M.Miton, S.Jonas, M.F.Mohammed, G.Fischer, B.V.Loo, B.Kintses, M.Hyvonen, N.Tokuriki, F.Hollfelder. G4 Mutant of Pas, Arylsulfatase From Pseudomonas Aeruginosa, in Complex with 3-Br-Phenolphenylphosphonate To Be Published.