Calcium in PDB 1sui: Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase

All present enzymatic activity of Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase:
2.1.1.104;

The structure of Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase, PDB code: 1sui was solved by J.-L.Ferrer, C.Zubieta, R.A.Dixon, J.P.Noel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	60.854, 136.486, 332.778, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 28.5

The binding sites of Calcium atom in the Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase (pdb code 1sui). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase, PDB code: 1sui:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:59.2 occ:1.00 OD2 A:ASP189 2.3 52.7 1.0 OD1 A:ASN190 2.6 55.5 1.0 OD1 A:ASP163 2.7 44.9 1.0 OD2 A:ASP163 2.9 47.6 1.0 CG A:ASP163 3.2 43.4 1.0 ND2 A:ASN190 3.2 55.2 1.0 CG A:ASN190 3.3 52.0 1.0 CG A:ASP189 3.4 50.0 1.0 O13 A:FRE306 3.8 0.3 1.0 O A:HOH319 3.8 47.1 1.0 C13 A:FRE306 3.9 0.3 1.0 CB A:ASP189 4.0 46.2 1.0 C5 A:FRE306 4.1 0.7 1.0 O A:MET61 4.2 55.5 1.0 OG1 A:THR63 4.3 58.1 1.0 OD1 A:ASP189 4.3 54.8 1.0 C6 A:FRE306 4.4 0.4 1.0 CB A:ASP163 4.7 41.5 1.0 CB A:ASN190 4.7 49.1 1.0 CG A:SAH301 4.8 65.3 1.0 N A:ASN190 4.8 44.8 1.0 OE1 A:GLU67 4.8 61.8 1.0 CA A:THR63 4.9 52.9 1.0

Calcium binding site 2 out of 4 in the Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca306 b:63.8 occ:1.00 O B:HOH311 2.5 45.6 1.0 OD1 B:ASN190 2.5 52.0 1.0 OD1 B:ASP163 2.5 52.5 1.0 OD2 B:ASP163 2.7 52.4 1.0 CG B:ASP163 2.9 50.5 1.0 OD2 B:ASP189 3.2 48.7 1.0 CG B:ASN190 3.4 51.2 1.0 ND2 B:ASN190 3.7 50.4 1.0 CG B:ASP189 4.0 49.2 1.0 CB B:ASP163 4.4 49.6 1.0 CG B:SAH302 4.6 0.4 1.0 CA B:SAH302 4.6 0.5 1.0 O B:SAH302 4.6 0.8 1.0 CB B:ASP189 4.6 47.7 1.0 OD1 B:ASP189 4.7 50.6 1.0 C B:SAH302 4.8 0.9 1.0 CB B:ASN190 4.8 49.7 1.0 NZ B:LYS166 4.8 66.7 1.0 SD B:SAH302 5.0 0.5 1.0 CB B:SAH302 5.0 0.1 1.0

Calcium binding site 3 out of 4 in the Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca307 b:90.9 occ:1.00 OD1 C:ASN190 2.4 68.3 1.0 CG C:SAH303 2.6 0.5 1.0 OD2 C:ASP163 2.8 85.3 1.0 OD1 C:ASP163 2.9 82.6 1.0 CG C:ASN190 3.2 68.0 1.0 ND2 C:ASN190 3.2 66.4 1.0 CG C:ASP163 3.2 82.9 1.0 OD1 C:ASP189 3.2 72.1 1.0 CG C:ASP189 3.3 69.4 1.0 CB C:SAH303 3.5 0.1 1.0 OD2 C:ASP189 3.5 69.3 1.0 C5' C:SAH303 3.9 0.5 1.0 CB C:ASP189 4.0 67.1 1.0 SD C:SAH303 4.0 0.9 1.0 OG1 C:THR62 4.1 0.2 1.0 CA C:SAH303 4.3 0.6 1.0 CB C:ASN190 4.6 66.8 1.0 CB C:ASP163 4.7 82.1 1.0 O C:THR62 4.7 1.0 1.0 SD C:MET61 4.8 0.8 1.0 N C:ASN190 4.8 65.2 1.0

Calcium binding site 4 out of 4 in the Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca308 b:88.5 occ:1.00 OD2 D:ASP189 2.3 0.9 1.0 OD2 D:ASP163 2.9 0.3 1.0 OD1 D:ASN190 3.3 98.7 1.0 OXT D:SAH304 3.3 0.8 1.0 OD1 D:ASP163 3.3 0.9 1.0 ND2 D:ASN190 3.3 99.0 1.0 CG D:ASP163 3.5 0.2 1.0 CG D:ASP189 3.5 0.1 1.0 CG D:ASN190 3.7 98.3 1.0 O D:MET61 3.8 0.6 1.0 CB D:SAH304 4.0 0.6 1.0 OD1 D:ASP189 4.1 0.9 1.0 CG D:SAH304 4.3 1.0 1.0 C D:SAH304 4.4 0.9 1.0 OE1 D:GLU67 4.5 0.5 1.0 CA D:SAH304 4.6 0.2 1.0 CB D:ASP189 4.6 0.8 1.0 CB D:THR63 4.7 0.1 1.0 CA D:THR63 4.7 0.9 1.0 N D:SAH304 4.8 0.5 1.0 N D:THR63 4.9 0.2 1.0 C D:MET61 4.9 0.3 1.0 CB D:ASP163 5.0 0.3 1.0

J.-L.Ferrer, C.Zubieta, R.A.Dixon, J.P.Noel. Crystal Structures of Alfalfa Caffeoyl Coenzyme A 3-O-Methyltransferase Plant Physiol. V. 137 1009 2005.
ISSN: ISSN 0032-0889
PubMed: 15734921
DOI: 10.1104/PP.104.048751