Calcium in PDB 6ust: Gut Microbial Sulfatase From Hungatella Hathewayi

All present enzymatic activity of Gut Microbial Sulfatase From Hungatella Hathewayi:
3.1.6.1;

The structure of Gut Microbial Sulfatase From Hungatella Hathewayi, PDB code: 6ust 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)	23.70 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.911, 114.668, 188.654, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 22.9

The binding sites of Calcium atom in the Gut Microbial Sulfatase From Hungatella Hathewayi (pdb code 6ust). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Gut Microbial Sulfatase From Hungatella Hathewayi, PDB code: 6ust:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Gut Microbial Sulfatase From Hungatella Hathewayi


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Gut Microbial Sulfatase From Hungatella Hathewayi within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:35.8 occ:1.00 OD1 A:ASP14 2.2 32.8 1.0 OD2 A:ASP292 2.2 35.0 1.0 OD1 A:ASN293 2.3 28.4 1.0 OD1 A:ASP13 2.4 36.8 1.0 OD1 A:ASP292 2.6 28.1 1.0 SG A:CYS53 2.6 39.0 1.0 CG A:ASP292 2.7 30.8 1.0 CG A:ASN293 3.3 30.6 1.0 CG A:ASP14 3.3 33.0 1.0 CB A:CYS53 3.4 32.5 1.0 CG A:ASP13 3.5 33.5 1.0 CA A:CYS53 3.6 29.5 1.0 ND2 A:ASN293 3.7 31.1 1.0 N A:ASP14 3.8 29.1 1.0 NH1 A:ARG57 4.0 30.1 1.0 OD2 A:ASP14 4.0 30.3 1.0 N A:CYS53 4.0 32.1 1.0 OD2 A:ASP13 4.1 34.4 1.0 NZ A:LYS120 4.1 35.4 1.0 CB A:ASP292 4.2 29.7 1.0 CA A:ASP14 4.3 31.9 1.0 CB A:ASP14 4.4 32.0 1.0 CE A:LYS313 4.4 29.4 1.0 CA A:ASP13 4.5 27.5 1.0 C A:ASP13 4.5 32.8 1.0 NZ A:LYS313 4.5 26.9 1.0 CB A:ASP13 4.6 29.4 1.0 CB A:ASN293 4.6 28.2 1.0 N A:ASN293 4.6 24.1 1.0 C A:VAL52 4.7 29.2 1.0 C A:ASP292 4.9 28.5 1.0 CD2 A:HIS203 4.9 34.6 1.0 C A:CYS53 5.0 33.0 1.0

Calcium binding site 2 out of 4 in the Gut Microbial Sulfatase From Hungatella Hathewayi


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Gut Microbial Sulfatase From Hungatella Hathewayi within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:38.1 occ:1.00 OD1 B:ASP13 2.2 40.7 1.0 OD1 B:ASP14 2.3 35.5 1.0 OD2 B:ASP292 2.4 35.7 1.0 OD1 B:ASN293 2.5 30.5 1.0 OD1 B:ASP292 2.6 35.0 1.0 SG B:CYS53 2.7 41.8 1.0 CG B:ASP292 2.8 37.1 1.0 CG B:ASP13 3.4 37.4 1.0 CG B:ASP14 3.4 31.2 1.0 CG B:ASN293 3.5 33.3 1.0 CB B:CYS53 3.6 38.1 1.0 N B:ASP14 3.7 32.7 1.0 CA B:CYS53 3.7 38.8 1.0 ND2 B:ASN293 3.9 31.1 1.0 OD2 B:ASP13 4.1 36.9 1.0 OD2 B:ASP14 4.1 26.8 1.0 N B:CYS53 4.1 37.5 1.0 CA B:ASP14 4.2 32.7 1.0 CB B:ASP292 4.3 30.8 1.0 NZ B:LYS120 4.3 37.9 1.0 C B:ASP13 4.3 33.6 1.0 CA B:ASP13 4.3 33.8 1.0 CB B:ASP14 4.4 31.7 1.0 CB B:ASP13 4.5 33.7 1.0 NZ B:LYS313 4.5 27.1 1.0 NH2 B:ARG57 4.5 33.5 1.0 CE B:LYS313 4.7 24.3 1.0 N B:ASN293 4.7 30.0 1.0 CB B:ASN293 4.7 31.9 1.0 C B:VAL52 4.8 33.9 1.0 NE B:ARG57 4.8 35.5 1.0 C B:ASP292 4.9 29.8 1.0 C B:CYS53 5.0 36.1 1.0

Calcium binding site 3 out of 4 in the Gut Microbial Sulfatase From Hungatella Hathewayi


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Gut Microbial Sulfatase From Hungatella Hathewayi within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca501 b:36.7 occ:1.00 OD2 C:ASP292 2.3 38.9 1.0 OD1 C:ASP13 2.4 42.9 1.0 OD2 C:ASP14 2.4 38.5 1.0 OD1 C:ASN293 2.6 33.5 1.0 SG C:CYS53 2.7 47.4 1.0 OD1 C:ASP292 2.7 31.7 1.0 CG C:ASP292 2.8 35.1 1.0 CG C:ASP14 3.3 35.8 1.0 CB C:CYS53 3.4 44.8 1.0 CG C:ASP13 3.5 39.3 1.0 CG C:ASN293 3.5 32.5 1.0 CA C:CYS53 3.7 40.6 1.0 N C:ASP14 3.7 35.4 1.0 ND2 C:ASN293 3.8 28.3 1.0 OD1 C:ASP14 3.8 33.8 1.0 OD2 C:ASP13 4.0 42.9 1.0 N C:CYS53 4.1 37.1 1.0 CA C:ASP14 4.2 33.6 1.0 NH1 C:ARG57 4.3 40.5 1.0 NZ C:LYS120 4.3 40.0 1.0 CB C:ASP292 4.3 34.1 1.0 CB C:ASP14 4.3 30.6 1.0 C C:ASP13 4.4 32.8 1.0 CA C:ASP13 4.4 35.2 1.0 CE C:LYS313 4.4 34.8 1.0 NZ C:LYS313 4.4 35.9 1.0 CB C:ASP13 4.5 36.6 1.0 C C:VAL52 4.7 35.5 1.0 N C:ASN293 4.8 30.4 1.0 CB C:ASN293 4.8 31.8 1.0 NH2 C:ARG57 4.9 36.8 1.0 C C:ASP292 4.9 30.5 1.0 C C:CYS53 5.0 37.9 1.0

Calcium binding site 4 out of 4 in the Gut Microbial Sulfatase From Hungatella Hathewayi


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Gut Microbial Sulfatase From Hungatella Hathewayi within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca501 b:38.1 occ:1.00 OD1 D:ASP14 2.1 40.2 1.0 OD1 D:ASP13 2.2 35.7 1.0 OD2 D:ASP292 2.3 34.8 1.0 OD1 D:ASN293 2.5 32.6 1.0 OD1 D:ASP292 2.5 28.1 1.0 CG D:ASP292 2.7 34.0 1.0 SG D:CYS53 2.8 36.8 1.0 CG D:ASP14 3.2 37.5 1.0 CG D:ASN293 3.4 33.7 1.0 CG D:ASP13 3.4 35.5 1.0 N D:ASP14 3.5 33.8 1.0 CB D:CYS53 3.6 35.7 1.0 ND2 D:ASN293 3.6 29.2 1.0 NH1 D:ARG57 3.8 38.4 1.0 CA D:CYS53 3.8 35.5 1.0 OD2 D:ASP14 3.9 32.3 1.0 CA D:ASP14 4.1 31.7 1.0 OD2 D:ASP13 4.1 39.1 1.0 NZ D:LYS120 4.2 38.9 1.0 CB D:ASP14 4.2 33.1 1.0 CB D:ASP292 4.2 35.4 1.0 CA D:ASP13 4.2 31.7 1.0 C D:ASP13 4.3 32.9 1.0 NZ D:LYS313 4.3 31.8 1.0 N D:CYS53 4.3 39.8 1.0 CB D:ASP13 4.4 33.0 1.0 CE D:LYS313 4.7 28.9 1.0 CB D:ASN293 4.7 30.2 1.0 N D:ASN293 4.8 21.7 1.0 C D:VAL52 4.9 35.0 1.0 CD2 D:HIS203 4.9 38.2 1.0 C D:ASP292 4.9 30.4 1.0

S.M.Ervin, M.R.Redinbo. Hungatella Hathewayi Sulfatase To Be Published.