Calcium in PDB 1k3i: Crystal Structure of the Precursor of Galactose Oxidase

All present enzymatic activity of Crystal Structure of the Precursor of Galactose Oxidase:
1.1.3.9;

The structure of Crystal Structure of the Precursor of Galactose Oxidase, PDB code: 1k3i was solved by S.J.Firbank, M.S.Rogers, C.M.Wilmot, D.M.Dooley, M.A.Halcrow, P.F.Knowles, M.J.Mcpherson, S.E.V.Phillips, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.41 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.313, 89.516, 93.960, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 19.3

The binding sites of Calcium atom in the Crystal Structure of the Precursor of Galactose Oxidase (pdb code 1k3i). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Precursor of Galactose Oxidase, PDB code: 1k3i:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Precursor of Galactose Oxidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Precursor of Galactose Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:13.1 occ:1.00 OD1 A:ASP258 2.3 16.5 1.0 O A:HOH1231 2.3 18.7 1.0 O A:SER255 2.3 10.8 1.0 O A:HOH1154 2.4 21.0 1.0 O A:HOH1233 2.5 16.5 1.0 CG A:ASP258 3.4 15.4 0.9 C A:SER255 3.5 9.9 1.0 OD2 A:ASP258 3.9 20.8 1.0 CA A:SER255 4.3 9.6 1.0 O A:HOH1064 4.4 16.9 1.0 O A:HOH1561 4.4 33.6 1.0 N A:SER256 4.5 9.6 0.9 OE1 A:GLU177 4.5 15.5 1.0 N A:ASP258 4.5 9.4 1.0 CB A:SER180 4.5 14.4 1.0 CA A:SER256 4.6 11.3 1.0 C A:SER256 4.6 11.5 0.9 O A:HOH1339 4.6 28.4 1.0 CB A:SER255 4.6 12.2 1.0 O A:SER256 4.6 14.4 0.9 CB A:ASP258 4.7 11.7 1.0 OG1 A:THR179 4.7 13.6 1.0 CA A:ASP258 4.7 9.5 0.9

Calcium binding site 2 out of 2 in the Crystal Structure of the Precursor of Galactose Oxidase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Precursor of Galactose Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:10.4 occ:1.00 O A:ASN34 2.3 12.1 1.0 O A:LYS29 2.3 11.9 1.0 O A:THR37 2.4 12.1 1.0 O A:ALA141 2.4 9.7 1.0 OE2 A:GLU142 2.4 10.2 0.9 OG1 A:THR37 2.5 12.3 0.9 OD1 A:ASP32 2.5 12.5 0.9 C A:THR37 3.3 8.3 0.9 C A:ASN34 3.4 12.8 1.0 CG A:ASP32 3.5 13.2 1.0 CD A:GLU142 3.5 12.8 1.0 C A:LYS29 3.6 11.6 1.0 C A:ALA141 3.6 7.6 0.9 CB A:THR37 3.7 12.8 1.0 OD2 A:ASP32 3.8 14.1 0.9 CA A:THR37 3.9 12.3 1.0 N A:ASN34 3.9 12.5 1.0 N A:THR37 4.0 12.9 1.0 CG A:GLU142 4.0 10.2 1.0 CA A:ASN34 4.1 13.7 1.0 CB A:ASN34 4.3 14.6 1.0 CA A:ALA141 4.3 7.3 0.9 N A:PHE38 4.3 9.8 1.0 CA A:ALA30 4.4 10.9 0.9 N A:ALA30 4.4 11.7 1.0 N A:LYS35 4.5 13.7 1.0 CA A:LYS29 4.5 11.5 0.9 N A:ASP32 4.6 12.2 1.0 OE1 A:GLU142 4.6 12.2 1.0 CA A:PHE38 4.6 9.4 1.0 N A:GLU142 4.6 7.8 0.9 C A:ALA30 4.6 10.8 0.9 N A:GLY33 4.7 12.1 1.0 CA A:LYS35 4.8 12.3 0.9 CB A:ASP32 4.8 12.8 1.0 CG2 A:THR37 4.8 12.4 1.0 CB A:ALA141 4.8 9.4 1.0 CA A:GLU142 4.8 7.3 0.9 C A:LYS35 4.9 14.0 1.0 C A:GLY33 4.9 12.3 1.0 N A:ILE31 4.9 10.3 1.0 CB A:LYS29 4.9 14.4 0.9

S.J.Firbank, M.S.Rogers, C.M.Wilmot, D.M.Dooley, M.A.Halcrow, P.F.Knowles, M.J.Mcpherson, S.E.Phillips. Crystal Structure of the Precursor of Galactose Oxidase: An Unusual Self-Processing Enzyme. Proc.Natl.Acad.Sci.Usa V. 98 12932 2001.
ISSN: ISSN 0027-8424
PubMed: 11698678
DOI: 10.1073/PNAS.231463798