Calcium in PDB 2hi8: Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization

The structure of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization, PDB code: 2hi8 was solved by M.G.Rudolph, D.Roeser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.20 / 1.64
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	61.158, 108.792, 43.057, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 19.1

The structure of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization also contains other interesting chemical elements:

Bromine	(Br)	15 atoms
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization (pdb code 2hi8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization, PDB code: 2hi8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca1016 b:10.6 occ:1.00 O X:HOH1048 2.3 12.2 1.0 OE2 X:GLU130 2.3 13.4 1.0 O X:ASN293 2.3 8.3 1.0 OE2 X:GLU300 2.3 11.0 1.0 O X:ALA298 2.4 8.3 1.0 O X:GLY296 2.4 7.2 1.0 CD X:GLU300 3.3 10.9 1.0 CD X:GLU130 3.4 10.7 1.0 C X:ALA298 3.5 9.1 1.0 C X:ASN293 3.5 8.0 1.0 CG X:GLU300 3.7 9.3 1.0 C X:GLY296 3.7 8.0 1.0 N X:ALA298 3.7 9.5 1.0 O X:ILE294 3.7 8.9 1.0 CG X:GLU130 3.9 8.5 1.0 C X:ILE294 4.0 9.1 1.0 CA X:ALA298 4.2 9.2 1.0 CA X:ILE294 4.3 9.5 1.0 CB X:ASN297 4.3 9.3 1.0 OE1 X:GLU130 4.3 12.4 1.0 N X:ILE294 4.4 9.3 1.0 N X:GLY296 4.4 8.0 1.0 O X:GLY332 4.4 10.2 1.0 C X:VAL295 4.4 8.2 1.0 CB X:ASN293 4.4 8.3 1.0 OE1 X:GLU300 4.4 9.9 1.0 NH2 X:ARG364 4.4 8.7 1.0 C X:ASN297 4.5 9.1 1.0 CA X:ASN293 4.5 8.1 1.0 N X:ASN297 4.6 7.8 1.0 O X:VAL295 4.6 8.6 1.0 N X:TRP299 4.6 8.8 1.0 CA X:GLY296 4.6 7.4 1.0 N X:VAL295 4.6 8.8 1.0 CA X:ASN297 4.6 9.0 1.0 CB X:ALA298 4.7 9.2 1.0 CA X:VAL295 4.8 8.8 1.0 C X:TRP299 4.9 8.8 1.0 CA X:TRP299 4.9 8.9 1.0

Calcium binding site 2 out of 2 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca1017 b:9.1 occ:1.00 OD1 X:ASN259 2.3 9.2 1.0 O X:PHE275 2.3 10.1 1.0 O X:ILE260 2.3 11.9 1.0 O X:HOH1027 2.4 9.6 1.0 O X:HOH1024 2.4 9.2 1.0 OD1 X:ASP273 2.5 9.4 1.0 OD2 X:ASP273 2.5 10.2 1.0 CG X:ASP273 2.8 8.8 1.0 C X:PHE275 3.5 9.8 1.0 C X:ILE260 3.5 10.2 1.0 CG X:ASN259 3.5 8.5 1.0 N X:ILE260 3.8 9.0 1.0 OE1 X:GLN262 4.1 10.5 1.0 C X:ASN259 4.2 8.1 1.0 CA X:ILE260 4.3 9.3 1.0 CA X:ASN259 4.3 8.2 1.0 CB X:ASP273 4.3 9.9 1.0 CA X:PHE275 4.3 10.2 1.0 CB X:PHE275 4.4 10.5 1.0 N X:PHE275 4.4 10.9 1.0 ND2 X:ASN259 4.4 8.4 1.0 NE2 X:GLN262 4.4 9.0 1.0 O X:TYR334 4.5 10.8 1.0 CB X:ASN259 4.5 8.3 1.0 N X:GLN276 4.5 9.9 1.0 N X:TRP261 4.5 10.6 1.0 O X:GLN276 4.5 10.9 1.0 ND2 X:ASN269 4.6 10.3 1.0 OD1 X:ASN269 4.6 14.6 1.0 CA X:GLN276 4.6 10.1 0.5 CD X:GLN262 4.7 10.4 1.0 CA X:GLN276 4.7 10.3 0.5 CA X:TRP261 4.7 11.0 1.0 C X:GLN276 4.8 10.2 1.0 O X:GLY277 4.8 9.3 1.0 CB X:TYR334 4.9 10.9 1.0 O X:ASN259 4.9 7.6 1.0 N X:ASP273 5.0 9.7 1.0

D.Roeser, B.Schmidt, A.Preusser-Kunze, M.G.Rudolph. Probing the Oxygen-Binding Site of the Human Formylglycine-Generating Enzyme Using Halide Ions. Acta Crystallogr.,Sect.D V. 63 621 2007.
ISSN: ISSN 0907-4449
PubMed: 17452787
DOI: 10.1107/S0907444907009961