Calcium in PDB 1sus: Crystal Structure of Alfalfa Feruoyl Coenzyme A 3-O-Methyltransferase

All present enzymatic activity of Crystal Structure of Alfalfa Feruoyl Coenzyme A 3-O-Methyltransferase:
2.1.1.104;

The structure of Crystal Structure of Alfalfa Feruoyl Coenzyme A 3-O-Methyltransferase, PDB code: 1sus 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 (%)	24.5 / 28.9

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

Calcium binding site 1 out of 4 in the Crystal Structure of Alfalfa Feruoyl 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 Crystal Structure of Alfalfa Feruoyl Coenzyme A 3-O-Methyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:54.9 occ:1.00 OD2 A:ASP189 2.2 46.5 1.0 OD2 A:ASP163 2.5 42.7 1.0 OD1 A:ASN190 2.6 43.0 1.0 OD1 A:ASP163 2.9 44.1 1.0 CG A:ASP163 3.1 40.0 1.0 CG A:ASP189 3.4 45.0 1.0 CG A:ASN190 3.5 43.2 1.0 CG2 A:THR63 3.5 46.6 1.0 ND2 A:ASN190 3.7 45.6 1.0 O A:HOH412 3.9 44.9 1.0 CB A:ASP189 4.2 41.5 1.0 O A:MET61 4.3 46.7 1.0 OD1 A:ASP189 4.3 46.9 1.0 CG A:SAH301 4.4 57.2 1.0 O13 A:SPF401 4.4 0.9 1.0 C13 A:SPF401 4.4 0.7 1.0 CB A:THR63 4.4 46.3 1.0 CB A:ASP163 4.6 38.7 1.0 C5 A:SPF401 4.7 0.9 1.0 CA A:THR63 4.8 46.0 1.0 C6 A:SPF401 4.8 0.2 1.0 CB A:SAH301 4.9 56.2 1.0 CB A:ASN190 4.9 41.4 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Alfalfa Feruoyl 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 Crystal Structure of Alfalfa Feruoyl Coenzyme A 3-O-Methyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca306 b:0.5 occ:1.00 O B:HOH311 2.5 19.6 1.0 OD1 B:ASP163 2.7 45.7 1.0 OD1 B:ASN190 2.9 44.1 1.0 NZ B:LYS166 3.2 55.9 1.0 CG B:ASN190 3.5 44.8 1.0 CG B:ASP163 3.7 43.6 1.0 ND2 B:ASN190 3.8 44.6 1.0 OD2 B:ASP163 3.9 45.9 1.0 CE B:LYS166 4.4 55.6 1.0 SD B:MET61 4.6 86.9 1.0 O B:ASP163 4.6 51.0 1.0 OD2 B:ASP189 4.7 45.8 1.0 CB B:ASN190 4.7 42.9 1.0 SD B:SAH302 4.7 0.3 1.0 O B:ALA164 4.8 51.9 1.0 CG B:SAH302 4.9 1.0 1.0 C B:ASP163 5.0 48.2 1.0 CB B:ASP163 5.0 43.0 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Alfalfa Feruoyl 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 Crystal Structure of Alfalfa Feruoyl Coenzyme A 3-O-Methyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca307 b:59.9 occ:1.00 OD2 C:ASP189 2.4 65.6 1.0 OD1 C:ASP163 2.6 72.9 1.0 OD2 C:ASP163 2.6 76.0 1.0 OD1 C:ASN190 2.7 65.9 1.0 CG C:ASP163 2.9 73.9 1.0 CG C:ASN190 3.4 65.3 1.0 ND2 C:ASN190 3.4 65.7 1.0 CG C:ASP189 3.6 64.5 1.0 CA C:SAH303 3.6 0.5 1.0 CB C:SAH303 3.7 0.3 1.0 CG C:SAH303 3.9 0.1 1.0 CB C:ASP189 4.2 61.8 1.0 N C:SAH303 4.3 0.5 1.0 O C:THR62 4.4 98.1 1.0 SD C:SAH303 4.5 0.3 1.0 CB C:ASP163 4.5 73.2 1.0 OD1 C:ASP189 4.5 66.8 1.0 CB C:ASN190 4.9 63.6 1.0 C C:SAH303 4.9 0.7 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Alfalfa Feruoyl 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 Crystal Structure of Alfalfa Feruoyl Coenzyme A 3-O-Methyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca308 b:87.5 occ:1.00 OD2 D:ASP189 2.3 92.3 1.0 OD2 D:ASP163 2.7 0.6 1.0 OD1 D:ASP163 2.9 0.4 1.0 CG D:ASP163 3.2 0.0 1.0 ND2 D:ASN190 3.3 87.8 1.0 OXT D:SAH304 3.4 0.5 1.0 CG D:ASP189 3.6 92.3 1.0 O D:MET61 3.6 0.6 1.0 OD1 D:ASN190 3.6 87.2 1.0 CG D:ASN190 3.9 86.9 1.0 OG1 D:THR63 3.9 0.3 1.0 CB D:SAH304 4.3 0.5 1.0 OD1 D:ASP189 4.3 93.5 1.0 C D:SAH304 4.5 0.3 1.0 CB D:ASP189 4.6 91.2 1.0 CG D:SAH304 4.6 0.0 1.0 CB D:ASP163 4.7 0.8 1.0 CA D:THR63 4.7 0.1 1.0 C D:MET61 4.8 0.5 1.0 CA D:SAH304 4.9 0.4 1.0 OE1 D:GLU67 4.9 0.9 1.0 CB D:THR63 4.9 0.1 1.0 N D:THR63 4.9 0.2 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