Calcium in PDB 7p1e: Structure of Kdnase From Aspergillus Terrerus in Complex with 2,3- Difluoro-2-Keto-3-Deoxynononic Acid

The structure of Structure of Kdnase From Aspergillus Terrerus in Complex with 2,3- Difluoro-2-Keto-3-Deoxynononic Acid, PDB code: 7p1e was solved by T.M.Gloster, S.A.Mcmahon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.35 / 1.53
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	61.348, 66.743, 92.635, 90, 90, 90
R / Rfree (%)	18.6 / 22

The structure of Structure of Kdnase From Aspergillus Terrerus in Complex with 2,3- Difluoro-2-Keto-3-Deoxynononic Acid also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Structure of Kdnase From Aspergillus Terrerus in Complex with 2,3- Difluoro-2-Keto-3-Deoxynononic Acid (pdb code 7p1e). 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 Structure of Kdnase From Aspergillus Terrerus in Complex with 2,3- Difluoro-2-Keto-3-Deoxynononic Acid, PDB code: 7p1e:

Calcium binding site 1 out of 1 in the Structure of Kdnase From Aspergillus Terrerus in Complex with 2,3- Difluoro-2-Keto-3-Deoxynononic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Kdnase From Aspergillus Terrerus in Complex with 2,3- Difluoro-2-Keto-3-Deoxynononic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca506 b:17.3 occ:1.00 OD1 A:ASP84 2.2 20.9 1.0 O A:GLY113 2.3 17.8 1.0 O A:GLY115 2.3 20.5 1.0 O A:HOH649 2.4 15.7 1.0 OD1 A:ASN86 2.4 14.5 1.0 O1A A:K99502 2.5 20.2 0.8 O1B A:K99502 2.5 19.8 0.8 C1 A:K99502 2.8 23.5 0.8 CG A:ASP84 3.3 21.4 1.0 C A:GLY113 3.3 16.5 1.0 CG A:ASN86 3.4 14.5 1.0 C A:GLY115 3.6 22.0 1.0 OD2 A:ASP84 3.6 26.5 1.0 ND2 A:ASN86 3.8 15.2 1.0 CA A:GLY113 4.0 16.5 1.0 C2 A:K99502 4.2 25.7 0.8 C A:SER114 4.2 20.4 1.0 N A:GLY115 4.2 21.8 1.0 N A:SER114 4.4 18.3 1.0 O A:SER114 4.4 19.6 1.0 O8 A:K99502 4.4 30.8 0.8 N A:ASP116 4.5 22.4 1.0 CA A:ASP116 4.5 22.0 1.0 CA A:GLY115 4.5 21.6 1.0 C6 A:K99502 4.5 27.5 0.8 O A:GLY117 4.6 17.1 1.0 O A:ILE85 4.6 13.8 1.0 CB A:ASP84 4.6 19.5 1.0 CA A:SER114 4.7 19.7 1.0 C4 A:K99502 4.7 25.6 0.8 O6 A:K99502 4.7 27.2 0.8 N A:ILE85 4.8 15.1 1.0 CB A:ASN86 4.8 13.9 1.0 C A:ILE85 4.9 14.0 1.0 C3 A:K99502 4.9 25.9 0.8 CA A:ASP84 4.9 17.9 1.0 C A:ASP84 5.0 15.7 1.0

T.M.Gloster, S.A.Mcmahon. Structure of Kdnase From Aspergillus Terrerus in Complex with 2,3-Difluoro-2-Keto-3-Deoxynononic Acid To Be Published.