Calcium in PDB 8q8i: AO75L in Complex with A Synthetic Trisaccharide Acceptor.

The structure of AO75L in Complex with A Synthetic Trisaccharide Acceptor., PDB code: 8q8i was solved by M.E.Laugueri, I.Speciale, A.Gimeno, L.Sicheng, A.Poveda, T.Lowary, L.Vanetten J, J.Barbero, C.De Castro, M.Tonetti, L.Rojas A, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.90 / 1.77
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	126.579, 50.456, 51.543, 90, 96.32, 90
R / Rfree (%)	22.2 / 27.1

The structure of AO75L in Complex with A Synthetic Trisaccharide Acceptor. also contains other interesting chemical elements:

Magnesium

(Mg)

5 atoms

The binding sites of Calcium atom in the AO75L in Complex with A Synthetic Trisaccharide Acceptor. (pdb code 8q8i). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the AO75L in Complex with A Synthetic Trisaccharide Acceptor., PDB code: 8q8i:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the AO75L in Complex with A Synthetic Trisaccharide Acceptor.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of AO75L in Complex with A Synthetic Trisaccharide Acceptor. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:25.8 occ:1.00 H A:LEU3 2.0 14.2 1.0 HA A:LYS2 2.6 28.9 1.0 HD1 A:TRP261 2.6 12.9 1.0 O A:LYS259 2.6 12.9 1.0 HB3 A:LYS2 2.8 28.9 1.0 N A:LEU3 2.8 11.5 1.0 HE1 A:TRP261 2.8 15.1 1.0 O A:ILE256 2.9 14.3 1.0 CD1 A:TRP261 3.2 10.4 1.0 CA A:LYS2 3.2 23.7 1.0 HA A:MET257 3.2 19.8 1.0 NE1 A:TRP261 3.3 12.2 1.0 O A:MET257 3.3 11.4 1.0 CB A:LYS2 3.4 23.7 1.0 HB3 A:LEU3 3.5 8.4 1.0 O A:HOH465 3.5 8.9 1.0 C A:LYS2 3.5 19.4 1.0 HB2 A:LEU3 3.6 8.4 1.0 C A:MET257 3.7 10.2 1.0 H A:LYS259 3.7 20.4 1.0 C A:LYS259 3.8 17.0 1.0 CB A:LEU3 3.8 6.6 1.0 CA A:MET257 3.9 16.1 1.0 CA A:LEU3 3.9 10.7 1.0 HD2 A:LYS2 3.9 27.2 1.0 C A:ILE256 4.0 14.8 1.0 N A:LYS259 4.0 16.6 1.0 H A:ALA4 4.1 16.9 1.0 HG2 A:LYS2 4.2 23.8 1.0 HB2 A:LYS2 4.2 28.9 1.0 CG A:LYS2 4.3 19.4 1.0 HB2 A:LYS259 4.4 8.2 1.0 N A:MET257 4.4 17.5 1.0 CA A:LYS259 4.4 11.9 1.0 N A:ALA258 4.4 12.2 1.0 HA A:ASP260 4.5 18.1 1.0 HA A:LEU3 4.5 13.3 1.0 CG A:TRP261 4.5 6.1 1.0 N A:LYS2 4.5 17.3 1.0 CD A:LYS2 4.6 22.3 1.0 CE2 A:TRP261 4.6 7.1 1.0 O A:MET1 4.6 18.7 1.0 HG23 A:ILE256 4.6 14.1 1.0 C A:ALA258 4.6 18.4 1.0 HB3 A:PRO234 4.7 7.0 1.0 O A:LYS2 4.7 19.6 1.0 N A:ALA4 4.7 13.7 1.0 N A:ASP260 4.8 19.2 1.0 HG22 A:ILE256 4.9 14.1 1.0 CB A:LYS259 4.9 6.5 1.0 HE2 A:MET257 4.9 6.9 1.0 C A:LEU3 4.9 17.9 1.0 H A:ALA258 4.9 15.1 1.0

Calcium binding site 2 out of 2 in the AO75L in Complex with A Synthetic Trisaccharide Acceptor.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of AO75L in Complex with A Synthetic Trisaccharide Acceptor. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:32.7 occ:1.00 O22 A:BCN319 2.5 23.9 1.0 O6 A:BCN319 2.7 20.7 1.0 O4 A:BCN319 2.8 29.5 1.0 OD1 A:ASP240 2.9 14.6 1.0 HD22 A:ASN243 2.9 31.9 1.0 HB2 A:ASN243 3.0 36.0 1.0 O A:GLU242 3.1 31.4 1.0 N1 A:BCN319 3.1 31.1 1.0 C2 A:BCN319 3.5 25.0 1.0 C3 A:BCN319 3.7 23.8 1.0 ND2 A:ASN243 3.8 26.2 1.0 CG A:ASP240 3.8 17.8 1.0 C1 A:BCN319 3.8 29.8 1.0 C4 A:BCN319 3.8 26.8 1.0 C6 A:BCN319 3.9 16.8 1.0 HB2 A:GLU242 3.9 21.2 1.0 OD2 A:ASP240 3.9 26.1 1.0 CB A:ASN243 4.0 29.6 1.0 C A:GLU242 4.0 21.6 1.0 C5 A:BCN319 4.1 22.4 1.0 H A:GLU242 4.3 23.2 1.0 HD21 A:ASN243 4.4 31.9 1.0 CG A:ASN243 4.4 25.0 1.0 HB3 A:ASN243 4.4 36.0 1.0 H A:ASP240 4.5 24.6 1.0 HB2 A:ASN239 4.6 28.0 1.0 O21 A:BCN319 4.7 20.6 1.0 CB A:GLU242 4.8 17.3 1.0 CA A:GLU242 4.8 15.2 1.0 N A:ASN243 4.8 21.5 1.0 CA A:ASN243 4.9 17.0 1.0 O A:ASP240 4.9 11.2 1.0 N A:GLU242 5.0 18.9 1.0

M.E.Laugueri, A.Gimeno, L.Sicheng, A.Poveda, T.Lowary, L.Van Etten J, J.Barbero, C.De Castro, M.Tonetti, L.Rojas A. AO75L in Complex with A Synthetic Trisaccharide Acceptor. To Be Published.