Calcium in PDB 3c3y: Crystal Structure of Pfomt, Phenylpropanoid and Flavonoid O- Methyltransferase From M. Crystallinum

All present enzymatic activity of Crystal Structure of Pfomt, Phenylpropanoid and Flavonoid O- Methyltransferase From M. Crystallinum:
2.1.1.104;

The structure of Crystal Structure of Pfomt, Phenylpropanoid and Flavonoid O- Methyltransferase From M. Crystallinum, PDB code: 3c3y was solved by J.G.Kopycki, D.Rauh, P.Neumann, M.T.Stubbs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.27 / 1.37
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.890, 71.830, 128.120, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.2

The binding sites of Calcium atom in the Crystal Structure of Pfomt, Phenylpropanoid and Flavonoid O- Methyltransferase From M. Crystallinum (pdb code 3c3y). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Pfomt, Phenylpropanoid and Flavonoid O- Methyltransferase From M. Crystallinum, PDB code: 3c3y:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Pfomt, Phenylpropanoid and Flavonoid O- Methyltransferase From M. Crystallinum


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 Pfomt, Phenylpropanoid and Flavonoid O- Methyltransferase From M. Crystallinum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca238 b:12.6 occ:1.00 OD1 A:ASP154 2.3 12.4 1.0 OD2 A:ASP180 2.4 11.7 1.0 O A:HOH470 2.4 12.6 1.0 O A:HOH693 2.4 17.7 1.0 OD1 A:ASN181 2.4 13.1 1.0 O A:HOH694 2.5 16.0 1.0 OD2 A:ASP154 2.6 11.5 1.0 CG A:ASP154 2.8 11.1 1.0 CG A:ASP180 3.4 11.1 1.0 CG A:ASN181 3.4 12.7 1.0 CB A:ASP180 3.7 10.5 1.0 ND2 A:ASN181 3.8 13.3 1.0 O A:MET52 4.0 15.9 1.0 NZ A:LYS157 4.1 14.6 1.0 O A:HOH481 4.2 15.6 1.0 CB A:ASP154 4.3 11.4 1.0 OD1 A:ASP180 4.5 11.6 1.0 O A:HOH695 4.5 18.6 1.0 O A:HOH496 4.5 21.6 1.0 CB A:SAH464 4.5 11.2 1.0 OG1 A:THR54 4.7 11.0 1.0 CB A:ASN181 4.7 12.2 1.0 O A:ASP154 4.8 12.9 1.0 C A:ASP180 4.9 10.3 1.0 N A:ASN181 4.9 10.3 1.0 CG A:SAH464 4.9 10.8 1.0 CA A:ASP180 4.9 9.7 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Pfomt, Phenylpropanoid and Flavonoid O- Methyltransferase From M. Crystallinum


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 Pfomt, Phenylpropanoid and Flavonoid O- Methyltransferase From M. Crystallinum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca239 b:20.5 occ:1.00 OE2 A:GLU106 2.2 20.6 1.0 OE1 A:GLU109 2.3 18.5 1.0 O A:HOH703 2.4 24.1 1.0 O A:HOH700 2.5 19.0 1.0 CD A:GLU106 3.4 19.9 1.0 CD A:GLU109 3.5 17.8 1.0 OE1 A:GLU106 4.0 21.1 1.0 CB A:GLU109 4.1 16.4 1.0 O A:HOH701 4.4 24.7 1.0 CA A:GLU106 4.4 16.3 1.0 OE2 A:GLU109 4.4 19.4 1.0 CG A:GLU109 4.4 17.0 1.0 O A:GLU106 4.5 16.6 1.0 CG A:GLU106 4.5 18.6 1.0 CB A:GLU106 4.5 17.0 1.0 C A:GLU106 4.9 16.2 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Pfomt, Phenylpropanoid and Flavonoid O- Methyltransferase From M. Crystallinum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Pfomt, Phenylpropanoid and Flavonoid O- Methyltransferase From M. Crystallinum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca238 b:12.8 occ:1.00 O B:HOH696 2.3 14.2 1.0 OD2 B:ASP180 2.3 10.5 1.0 O B:HOH695 2.4 15.8 1.0 OD1 B:ASN181 2.4 12.5 1.0 OD1 B:ASP154 2.4 12.6 1.0 O B:HOH694 2.4 16.4 1.0 OD2 B:ASP154 2.6 11.9 1.0 CG B:ASP154 2.8 11.3 1.0 CG B:ASP180 3.3 11.1 1.0 CG B:ASN181 3.4 12.2 1.0 CB B:ASP180 3.7 11.0 1.0 ND2 B:ASN181 3.8 12.0 1.0 O B:MET52 4.0 16.8 1.0 NZ B:LYS157 4.1 14.7 1.0 O B:HOH485 4.2 15.5 1.0 CB B:ASP154 4.3 11.2 1.0 OD1 B:ASP180 4.4 11.6 1.0 O B:HOH513 4.4 21.4 1.0 CB B:SAH465 4.5 12.7 1.0 O B:HOH697 4.5 17.7 1.0 OG1 B:THR54 4.6 11.8 1.0 CB B:ASN181 4.7 11.1 1.0 O B:ASP154 4.8 12.5 1.0 C B:ASP180 4.9 9.6 1.0 N B:ASN181 4.9 9.6 1.0 CA B:ASP180 5.0 9.5 1.0 CG B:SAH465 5.0 11.7 1.0

J.G.Kopycki, D.Rauh, A.A.Chumanevich, P.Neumann, T.Vogt, M.T.Stubbs. Biochemical and Structural Analysis of Substrate Promiscuity in Plant Mg(2+)-Dependent O-Methyltransferases J.Mol.Biol. V. 378 154 2008.
ISSN: ISSN 0022-2836
PubMed: 18342334
DOI: 10.1016/J.JMB.2008.02.019