Calcium in PDB 8yya: Crystal Structure of Concanavalin A Complexed with 5-Fluorouracil

The structure of Crystal Structure of Concanavalin A Complexed with 5-Fluorouracil, PDB code: 8yya was solved by S.Rasheed, R.Arif, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.74 / 2.96
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.781, 86.546, 88.637, 90, 90, 90
R / Rfree (%)	19.5 / 27.4

The structure of Crystal Structure of Concanavalin A Complexed with 5-Fluorouracil also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Fluorine	(F)	1 atom

The binding sites of Calcium atom in the Crystal Structure of Concanavalin A Complexed with 5-Fluorouracil (pdb code 8yya). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Concanavalin A Complexed with 5-Fluorouracil, PDB code: 8yya:

Calcium binding site 1 out of 1 in the Crystal Structure of Concanavalin A Complexed with 5-Fluorouracil


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 Concanavalin A Complexed with 5-Fluorouracil within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:2.5 occ:1.00 OD1 A:ASP10 2.2 3.1 1.0 OD2 A:ASP19 2.5 4.6 1.0 O A:TYR12 2.5 3.9 1.0 OD1 A:ASN14 2.5 4.5 1.0 OD2 A:ASP10 2.6 3.1 1.0 CG A:ASP10 2.7 3.1 1.0 CG A:ASP19 3.6 4.7 1.0 CG A:ASN14 3.6 4.6 1.0 C A:TYR12 3.7 3.8 1.0 OD1 A:ASP19 4.1 4.6 1.0 N A:ASN14 4.2 4.7 1.0 CB A:ASP10 4.2 3.1 1.0 O A:ARG228 4.3 4.0 1.0 CB A:ASN14 4.4 4.7 1.0 O A:ASP208 4.4 3.5 1.0 CB A:ARG228 4.5 4.0 1.0 CA A:ARG228 4.5 4.0 1.0 CA A:TYR12 4.5 3.6 1.0 N A:TYR12 4.6 3.5 1.0 ND2 A:ASN14 4.6 4.6 1.0 OD2 A:ASP208 4.6 3.9 1.0 N A:PRO13 4.6 4.1 1.0 CB A:TYR12 4.7 3.5 1.0 CA A:PRO13 4.7 4.3 1.0 C A:PRO13 4.8 4.5 1.0 CB A:ASP19 4.8 4.8 1.0 C A:ARG228 4.9 4.0 1.0 CA A:ASN14 4.9 4.8 1.0 CA A:ASP10 5.0 3.0 1.0 CE1 A:HIS24 5.0 3.0 1.0

S.Rasheed, R.Arif. Crystal Structure of Concanavalin A Complexed with 5-Fluorouracil To Be Published.