Calcium in PDB 4ruq: Carp Fishelectin, Apo Form

The structure of Carp Fishelectin, Apo Form, PDB code: 4ruq was solved by S.Capaldi, B.Faggion, M.E.Carrizo, L.Destefanis, M.C.Gonzalez, M.Perduca, M.Bovi, M.Galliano, H.L.Monaco, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.310, 70.990, 163.030, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 18.5

The binding sites of Calcium atom in the Carp Fishelectin, Apo Form (pdb code 4ruq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Carp Fishelectin, Apo Form, PDB code: 4ruq:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Carp Fishelectin, Apo Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Carp Fishelectin, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:5.1 occ:1.00 O A:HOH401 2.3 6.6 1.0 O A:HOH403 2.4 6.8 1.0 OE2 A:GLU170 2.4 6.4 1.0 OD1 A:ASP82 2.4 6.0 1.0 O A:HOH402 2.4 7.3 1.0 OD1 A:ASP14 2.5 6.2 1.0 OD2 A:ASP14 2.5 6.1 1.0 CG A:ASP14 2.9 6.1 1.0 CD A:GLU170 3.4 6.5 1.0 CG A:ASP82 3.4 6.0 1.0 OD2 A:ASP82 3.8 6.0 1.0 OE1 A:GLU170 3.9 6.6 1.0 OG A:SER127 4.1 7.0 1.0 OG A:SER48 4.1 6.2 1.0 O A:HOH406 4.1 7.2 1.0 O A:HOH404 4.2 10.1 1.0 OG A:SER216 4.4 6.3 1.0 CB A:ASP14 4.4 6.0 1.0 O A:ALA15 4.5 6.0 1.0 O A:VAL171 4.5 6.6 1.0 CG A:GLU170 4.5 6.7 1.0 O A:VAL49 4.6 5.7 1.0 N A:GLY84 4.7 5.9 1.0 CA A:GLY84 4.7 5.9 1.0 CB A:GLU170 4.7 6.8 1.0 CB A:ASP82 4.7 6.1 1.0 O A:HOH414 4.8 8.0 1.0

Calcium binding site 2 out of 2 in the Carp Fishelectin, Apo Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Carp Fishelectin, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:3.7 occ:1.00 OD1 B:ASP82 2.4 5.3 1.0 O B:HOH403 2.4 6.0 1.0 O B:HOH401 2.4 5.5 1.0 OE1 B:GLU170 2.4 5.6 1.0 O B:HOH402 2.4 6.2 1.0 OD1 B:ASP14 2.5 5.1 1.0 OD2 B:ASP14 2.5 5.1 1.0 CG B:ASP14 2.9 5.0 1.0 CD B:GLU170 3.4 5.6 1.0 CG B:ASP82 3.4 5.3 1.0 OD2 B:ASP82 3.7 5.3 1.0 OE2 B:GLU170 3.8 5.6 1.0 OG B:SER48 4.1 5.0 1.0 OG B:SER127 4.1 5.4 1.0 O B:HOH405 4.1 6.7 1.0 O B:HOH404 4.2 9.2 1.0 OG B:SER216 4.4 5.3 1.0 CB B:ASP14 4.4 5.0 1.0 O B:ALA15 4.5 5.1 1.0 O B:VAL171 4.5 5.7 1.0 CG B:GLU170 4.5 5.7 1.0 O B:VAL49 4.6 5.1 1.0 N B:GLY84 4.6 5.2 1.0 CA B:GLY84 4.7 5.3 1.0 CB B:ASP82 4.7 5.4 1.0 CB B:GLU170 4.8 5.6 1.0 O B:HOH407 4.8 7.7 1.0

S.Capaldi, B.Faggion, M.E.Carrizo, L.Destefanis, M.C.Gonzalez, M.Perduca, M.Bovi, M.Galliano, H.L.Monaco. Three Dimensional Structure and Ligand-Binding Site of Carp Fishelectin (Fel) Acta Crystallogr.,Sect.D V. 71 2015.
ISSN: ESSN 1399-0047
DOI: 10.1107/S1399004715004174