Calcium in PDB 9fo1: Family S1_16 Sulfatase From Metagenomic Dataset Amor

The structure of Family S1_16 Sulfatase From Metagenomic Dataset Amor, PDB code: 9fo1 was solved by N.Rhein-Knudsen, S.J.Horn, A.Jeudy, M.Czjzek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.89 / 3.11
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	206.314, 206.314, 206.314, 90, 90, 90
R / Rfree (%)	16.2 / 19.2

The binding sites of Calcium atom in the Family S1_16 Sulfatase From Metagenomic Dataset Amor (pdb code 9fo1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Family S1_16 Sulfatase From Metagenomic Dataset Amor, PDB code: 9fo1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Family S1_16 Sulfatase From Metagenomic Dataset Amor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Family S1_16 Sulfatase From Metagenomic Dataset Amor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:55.4 occ:1.00 OD2 A:ASP263 2.2 64.5 1.0 OD1 A:ASP19 2.2 63.1 1.0 OD1 A:ASN264 2.2 68.7 1.0 OD1 A:ASP18 2.3 60.4 1.0 SG A:CYS58 2.6 80.5 1.0 CG A:ASP263 2.8 59.0 1.0 OD1 A:ASP263 2.8 52.2 1.0 CG A:ASN264 3.2 65.9 1.0 CB A:CYS58 3.3 77.1 1.0 CG A:ASP19 3.3 69.3 1.0 CA A:CYS58 3.4 67.5 1.0 CG A:ASP18 3.5 77.8 1.0 ND2 A:ASN264 3.5 73.2 1.0 N A:ASP19 3.7 70.5 1.0 N A:CYS58 3.9 65.6 1.0 OD2 A:ASP19 3.9 74.4 1.0 NZ A:LYS123 4.0 104.6 1.0 CE A:LYS287 4.2 80.9 1.0 OD2 A:ASP18 4.2 92.0 1.0 CB A:ASP263 4.2 61.3 1.0 CA A:ASP19 4.3 74.1 1.0 CB A:ASP19 4.4 75.5 1.0 C A:ASP18 4.5 73.0 1.0 CA A:ASP18 4.6 74.4 1.0 CB A:ASN264 4.6 66.8 1.0 CB A:ASP18 4.6 76.0 1.0 C A:VAL57 4.7 72.3 1.0 NE A:ARG62 4.7 70.2 1.0 C A:ASP263 4.8 58.6 1.0 N A:ASN264 4.8 67.4 1.0 NZ A:LYS287 4.8 85.3 1.0 C A:CYS58 4.8 69.7 1.0 NH2 A:ARG62 4.9 70.5 1.0 CD A:LYS287 4.9 75.9 1.0 CD2 A:HIS201 5.0 80.5 1.0

Calcium binding site 2 out of 2 in the Family S1_16 Sulfatase From Metagenomic Dataset Amor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Family S1_16 Sulfatase From Metagenomic Dataset Amor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:113.4 occ:1.00 O A:LEU102 2.3 78.2 1.0 OE2 A:GLU109 2.3 95.8 1.0 OE1 A:GLN136 2.7 60.9 1.0 O A:GLU104 2.9 62.8 1.0 CD A:GLU109 3.0 84.8 1.0 OE1 A:GLU109 3.1 90.3 1.0 O A:HOH617 3.3 44.9 1.0 C A:LEU102 3.4 63.3 1.0 O A:HOH610 3.7 59.9 1.0 CD A:GLN136 3.9 68.1 1.0 CA A:LEU102 4.0 59.2 1.0 C A:GLU104 4.0 61.0 1.0 CG A:GLU109 4.4 73.5 1.0 N A:TRP103 4.5 59.4 1.0 CA A:GLN136 4.5 62.0 1.0 O A:ARG135 4.6 65.3 1.0 N A:GLU104 4.6 65.6 1.0 CB A:LEU102 4.6 59.1 1.0 CG A:GLN136 4.6 67.7 1.0 C A:TRP103 4.7 60.7 1.0 N A:THR105 4.7 62.5 1.0 CA A:THR105 4.8 61.8 1.0 CA A:TRP103 4.8 58.0 1.0 NE2 A:GLN136 4.9 67.3 1.0 CA A:GLU104 5.0 60.1 1.0

N.Rhein-Knudsen, D.S.Reyes-Weiss, L.J.Klau, A.Jeudy, T.Roret, R.Stokke, V.G.H.Eijsink, F.L.Aachmann, M.Czjzek, S.J.Horn. Identification and Characterization of A New Thermophilic Kappa-Carrageenan Sulfatase. J.Agric.Food Chem. 2025.
ISSN: ESSN 1520-5118
PubMed: 39797788
DOI: 10.1021/ACS.JAFC.4C09751