Calcium in PDB 3sia: Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased

The structure of Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased, PDB code: 3sia was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), P.Skubak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.86 / 2.05
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	45.880, 68.250, 130.680, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 23.7

The structure of Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased also contains other interesting chemical elements:

Iodine	(I)	27 atoms
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased (pdb code 3sia). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased, PDB code: 3sia:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased


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 URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca221 b:21.6 occ:1.00 O A:THR67 2.2 18.5 1.0 OD1 A:ASP61 2.3 21.4 1.0 OD1 A:ASP63 2.4 16.8 1.0 OE1 A:GLU69 2.5 20.9 1.0 OG A:SER65 2.5 16.7 1.0 OE2 A:GLU72 2.6 20.1 1.0 OE1 A:GLU72 2.6 24.6 1.0 CD A:GLU72 2.9 22.1 1.0 CG A:ASP61 3.4 20.3 1.0 C A:THR67 3.4 18.9 1.0 CG A:ASP63 3.4 22.2 1.0 CD A:GLU69 3.6 24.4 1.0 CB A:SER65 3.6 21.6 1.0 OD2 A:ASP63 3.9 22.5 1.0 OE2 A:GLU69 4.0 27.1 1.0 N A:SER65 4.0 22.0 1.0 OD2 A:ASP61 4.1 18.4 1.0 OG1 A:THR67 4.1 17.8 1.0 O A:HOH269 4.2 24.9 1.0 CA A:LEU68 4.2 18.5 1.0 N A:LEU68 4.2 18.9 1.0 CB A:ASP61 4.2 19.5 1.0 CA A:ASP61 4.2 20.1 1.0 N A:THR67 4.3 20.1 1.0 CA A:THR67 4.3 19.7 1.0 CA A:SER65 4.4 22.1 1.0 N A:ASP63 4.4 23.4 1.0 CG A:GLU72 4.4 19.3 1.0 N A:GLU69 4.5 17.7 1.0 C A:ASP61 4.6 22.1 1.0 CB A:ASP63 4.7 24.1 1.0 N A:ARG62 4.8 22.1 1.0 C A:LEU68 4.8 18.3 1.0 N A:ARG64 4.8 23.5 1.0 CG A:GLU69 4.8 23.0 1.0 N A:GLY66 4.8 22.3 1.0 CB A:THR67 4.9 20.1 1.0 CA A:ASP63 4.9 24.1 1.0 O A:HOH306 4.9 23.5 1.0 C A:SER65 4.9 22.8 1.0 C A:ASP63 4.9 23.9 1.0 CD2 A:LEU68 5.0 18.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased


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 URE3-Binding Protein, (D127A,N129A) Mutant, Iodide Phased within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca222 b:46.9 occ:1.00 O A:HIS103 2.2 22.5 1.0 OD1 A:ASP97 2.2 22.2 1.0 OD1 A:ASN101 2.3 25.9 1.0 OD2 A:ASP99 2.6 30.8 1.0 O A:HOH260 2.8 10.6 1.0 OE1 A:GLU108 3.1 13.3 1.0 CG A:ASP97 3.2 21.1 1.0 CG A:ASN101 3.3 32.1 1.0 C A:HIS103 3.3 23.6 1.0 CG A:ASP99 3.5 32.5 1.0 ND2 A:ASN101 3.6 33.9 1.0 OE2 A:GLU108 3.8 18.0 1.0 CB A:ASP99 3.8 31.2 1.0 CD A:GLU108 3.9 14.8 1.0 CA A:ASP97 3.9 18.4 1.0 CB A:ASP97 3.9 19.1 1.0 N A:HIS103 4.0 27.0 1.0 CA A:HIS103 4.1 26.2 1.0 OD2 A:ASP97 4.1 22.0 1.0 CB A:HIS103 4.2 27.9 1.0 N A:ASP99 4.3 27.2 1.0 C A:ASP97 4.3 20.7 1.0 N A:ILE104 4.3 19.8 1.0 N A:ASN101 4.4 32.5 1.0 CA A:ILE104 4.5 18.0 1.0 CA A:ASP99 4.5 30.9 1.0 OD1 A:ASP99 4.5 36.4 1.0 O A:HOH296 4.6 22.5 1.0 N A:THR98 4.6 21.5 1.0 CB A:ASN101 4.6 33.5 1.0 N A:SER105 4.7 17.2 1.0 N A:PHE100 4.8 32.2 1.0 C A:ASP99 4.9 32.5 1.0 CA A:ASN101 4.9 32.9 1.0 O A:ASP97 4.9 22.4 1.0 N A:GLY102 5.0 30.3 1.0

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), A.Gardberg, T.Edwards, B.Staker, P.Skubak, L.Stewart, C.Gilchrist. Crystal Structure of URE3-Binding Protein To Be Published.