Calcium in PDB 2aft: Formylglycine Generating Enzyme C336S Mutant

The structure of Formylglycine Generating Enzyme C336S Mutant, PDB code: 2aft was solved by D.Roeser, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.17 / 1.66
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	61.786, 109.514, 43.425, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 18.7

The binding sites of Calcium atom in the Formylglycine Generating Enzyme C336S Mutant (pdb code 2aft). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Formylglycine Generating Enzyme C336S Mutant, PDB code: 2aft:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Formylglycine Generating Enzyme C336S Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Formylglycine Generating Enzyme C336S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca1001 b:17.9 occ:1.00 O X:HOH1045 2.3 20.3 1.0 OE2 X:GLU300 2.3 17.6 1.0 O X:ALA298 2.4 15.0 1.0 OE2 X:GLU130 2.4 19.3 1.0 O X:ASN293 2.4 16.7 1.0 O X:GLY296 2.4 15.9 1.0 CD X:GLU300 3.3 18.0 1.0 CD X:GLU130 3.4 19.1 1.0 C X:ALA298 3.5 16.8 1.0 C X:ASN293 3.6 16.8 1.0 N X:ALA298 3.7 17.1 1.0 CG X:GLU300 3.7 17.8 1.0 C X:GLY296 3.7 16.1 1.0 O X:ILE294 3.9 18.4 1.0 CG X:GLU130 4.0 16.8 1.0 C X:ILE294 4.1 18.0 1.0 CA X:ALA298 4.2 16.6 1.0 CA X:ILE294 4.4 17.5 1.0 CB X:ASN297 4.4 16.8 1.0 OE1 X:GLU130 4.4 19.3 1.0 N X:GLY296 4.4 15.6 1.0 O X:GLY332 4.4 17.3 1.0 OE1 X:GLU300 4.4 15.5 1.0 C X:VAL295 4.4 16.8 1.0 N X:ILE294 4.4 17.0 1.0 CB X:ASN293 4.5 16.3 1.0 C X:ASN297 4.5 16.8 1.0 NH2 X:ARG364 4.5 16.3 1.0 N X:ASN297 4.6 16.1 1.0 CA X:ASN293 4.6 16.6 1.0 N X:TRP299 4.6 16.4 1.0 O X:VAL295 4.6 14.9 1.0 CA X:GLY296 4.6 15.6 1.0 CA X:ASN297 4.7 16.5 1.0 N X:VAL295 4.7 16.9 1.0 CB X:ALA298 4.7 16.7 1.0 CA X:VAL295 4.8 16.8 1.0 C X:TRP299 4.9 16.4 1.0 CA X:TRP299 5.0 17.4 1.0

Calcium binding site 2 out of 2 in the Formylglycine Generating Enzyme C336S Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Formylglycine Generating Enzyme C336S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca1002 b:17.5 occ:1.00 OD1 X:ASN259 2.3 17.5 1.0 O X:ILE260 2.4 18.2 1.0 O X:PHE275 2.4 17.5 1.0 O X:HOH1015 2.4 17.7 1.0 O X:HOH1011 2.4 17.0 1.0 OD2 X:ASP273 2.5 18.2 1.0 OD1 X:ASP273 2.5 15.4 1.0 CG X:ASP273 2.8 17.6 1.0 C X:ILE260 3.5 17.8 1.0 CG X:ASN259 3.5 17.6 1.0 C X:PHE275 3.6 17.5 1.0 N X:ILE260 3.8 17.0 1.0 OE1 X:GLN262 4.2 17.8 1.0 C X:ASN259 4.2 16.0 1.0 CA X:ILE260 4.3 17.6 1.0 CA X:ASN259 4.3 16.1 1.0 CB X:ASP273 4.3 18.2 1.0 CA X:PHE275 4.3 17.1 1.0 ND2 X:ASN259 4.4 17.2 1.0 N X:PHE275 4.4 18.0 1.0 CB X:PHE275 4.4 17.3 1.0 O X:TYR334 4.5 19.0 1.0 NE2 X:GLN262 4.5 16.6 1.0 CB X:ASN259 4.5 15.6 1.0 N X:TRP261 4.5 18.2 1.0 N X:GLN276 4.6 17.1 1.0 O X:GLN276 4.6 17.3 1.0 ND2 X:ASN269 4.6 17.9 1.0 CA X:GLN276 4.7 18.1 1.0 OD1 X:ASN269 4.7 22.3 1.0 CD X:GLN262 4.7 18.3 1.0 CA X:TRP261 4.7 18.2 1.0 C X:GLN276 4.8 17.3 1.0 O X:ASN259 4.9 14.8 1.0 O X:GLY277 4.9 18.1 1.0 CB X:TYR334 4.9 18.8 1.0

D.Roeser, A.Preusser-Kunze, B.Schmidt, K.Gasow, J.G.Wittmann, T.Dierks, K.Von Figura, M.G.Rudolph. A General Binding Mechanism For All Human Sulfatases By the Formylglycine-Generating Enzyme Proc.Natl.Acad.Sci.Usa V. 103 81 2006.
ISSN: ISSN 0027-8424
PubMed: 16368756
DOI: 10.1073/PNAS.0507592102