Calcium in PDB 6uss: Catalytic S88C Mutant of Gut Microbial Sulfatase From Bacteroides Fragilis Cag:558

The structure of Catalytic S88C Mutant of Gut Microbial Sulfatase From Bacteroides Fragilis Cag:558, PDB code: 6uss was solved by S.M.Ervin, M.R.Redinbo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.48 / 2.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	122.633, 180.378, 123.692, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 24

The binding sites of Calcium atom in the Catalytic S88C Mutant of Gut Microbial Sulfatase From Bacteroides Fragilis Cag:558 (pdb code 6uss). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Catalytic S88C Mutant of Gut Microbial Sulfatase From Bacteroides Fragilis Cag:558, PDB code: 6uss:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Catalytic S88C Mutant of Gut Microbial Sulfatase From Bacteroides Fragilis Cag:558


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Catalytic S88C Mutant of Gut Microbial Sulfatase From Bacteroides Fragilis Cag:558 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:22.4 occ:1.00 SG A:CYS88 2.1 44.7 1.0 OD2 A:ASP322 2.2 19.9 1.0 OD1 A:ASP43 2.3 20.4 1.0 OD1 A:ASP42 2.3 25.4 1.0 ND2 A:ASN323 2.5 16.1 1.0 OD1 A:ASP322 2.8 22.5 1.0 CG A:ASP322 2.9 25.7 1.0 CB A:CYS88 3.3 18.6 1.0 CG A:ASP42 3.3 23.4 1.0 CG A:ASP43 3.4 21.9 1.0 CG A:ASN323 3.4 21.8 1.0 OD1 A:ASN323 3.6 23.1 1.0 CA A:CYS88 3.6 19.1 1.0 N A:ASP43 3.7 19.3 1.0 NZ A:LYS165 3.7 17.9 1.0 OD2 A:ASP42 3.8 24.5 1.0 N A:CYS88 3.9 20.4 1.0 NZ A:LYS348 4.0 11.4 1.0 OD2 A:ASP43 4.0 15.2 1.0 CA A:ASP43 4.2 19.7 1.0 CB A:ASP322 4.3 18.2 1.0 CB A:ASP43 4.4 22.8 1.0 NH2 A:ARG92 4.4 19.0 1.0 CE A:LYS348 4.4 17.6 1.0 C A:ASP42 4.5 19.2 1.0 CA A:ASP42 4.5 21.4 1.0 CB A:ASP42 4.5 19.2 1.0 NE A:ARG92 4.7 21.0 1.0 CB A:ASN323 4.7 16.4 1.0 C A:ILE87 4.8 17.9 1.0 N A:ASN323 4.9 16.4 1.0 CE A:LYS165 4.9 20.6 1.0 C A:ASP322 4.9 16.0 1.0

Calcium binding site 2 out of 2 in the Catalytic S88C Mutant of Gut Microbial Sulfatase From Bacteroides Fragilis Cag:558


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Catalytic S88C Mutant of Gut Microbial Sulfatase From Bacteroides Fragilis Cag:558 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:18.1 occ:1.00 OD1 B:ASP43 2.1 18.7 1.0 OD1 B:ASP42 2.3 19.2 1.0 OD2 B:ASP322 2.3 16.9 1.0 ND2 B:ASN323 2.3 16.6 1.0 OD1 B:ASP322 2.5 15.3 1.0 SG B:CYS88 2.6 38.6 1.0 CG B:ASP322 2.7 20.2 1.0 CG B:ASP43 3.2 25.1 1.0 CG B:ASP42 3.3 22.5 1.0 CG B:ASN323 3.3 19.2 1.0 CB B:CYS88 3.4 21.5 1.0 OD1 B:ASN323 3.6 17.7 1.0 N B:ASP43 3.6 20.9 1.0 CA B:CYS88 3.7 18.3 1.0 OD2 B:ASP42 3.8 23.2 1.0 OD2 B:ASP43 3.9 24.0 1.0 N B:CYS88 3.9 18.7 1.0 NZ B:LYS165 4.1 17.3 1.0 CA B:ASP43 4.2 17.3 1.0 CB B:ASP322 4.2 15.7 1.0 CB B:ASP43 4.3 16.6 1.0 NH2 B:ARG92 4.3 14.8 1.0 C B:ASP42 4.3 20.5 1.0 CA B:ASP42 4.4 16.3 1.0 CB B:ASP42 4.4 20.6 1.0 NE B:ARG92 4.5 20.8 1.0 CB B:ASN323 4.6 17.4 1.0 CE B:LYS348 4.6 18.1 1.0 NZ B:LYS348 4.7 16.3 1.0 N B:ASN323 4.7 14.3 1.0 C B:ASP322 4.8 19.9 1.0 C B:ILE87 4.9 22.8 1.0 CZ B:ARG92 4.9 20.9 1.0

S.M.Ervin, M.R.Redinbo. Catalytic S88C Mutant of Gut Microbial Sulfatase From Bacteroides Fragilis Cag:558 To Be Published.