Calcium in PDB 9i2l: BTUJ2 - DUF4465 Domain Containing Protein

The structure of BTUJ2 - DUF4465 Domain Containing Protein, PDB code: 9i2l was solved by C.Clarke, M.Banasik, R.Pickersgill, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.47 / 2.73
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.746, 97.98, 70.472, 90, 90, 90
R / Rfree (%)	18.5 / 26.1

The structure of BTUJ2 - DUF4465 Domain Containing Protein also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

The binding sites of Calcium atom in the BTUJ2 - DUF4465 Domain Containing Protein (pdb code 9i2l). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the BTUJ2 - DUF4465 Domain Containing Protein, PDB code: 9i2l:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the BTUJ2 - DUF4465 Domain Containing Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of BTUJ2 - DUF4465 Domain Containing Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:34.1 occ:1.00 OG B:SER157 2.0 45.1 1.0 O B:ASN160 2.0 45.5 1.0 OD2 B:ASP299 2.3 29.0 1.0 O B:THR53 2.3 39.7 1.0 OD1 B:ASP55 2.4 42.2 1.0 OD1 B:ASP299 2.7 31.0 1.0 H B:GLY158 2.7 30.5 1.0 CG B:ASP299 2.9 30.9 1.0 C B:ASN160 3.1 35.1 1.0 H B:SER157 3.3 34.4 1.0 CG B:ASP55 3.3 44.3 1.0 H B:ASN160 3.3 35.4 1.0 CB B:SER157 3.3 38.9 1.0 N B:GLY158 3.5 28.9 1.0 HB2 B:PHE54 3.5 27.8 1.0 OD2 B:ASP55 3.5 41.8 1.0 C B:THR53 3.5 33.7 1.0 HA3 B:GLY155 3.7 26.7 1.0 HB2 B:ASN160 3.7 34.1 1.0 N B:ASN160 3.7 34.9 1.0 HB2 B:SER157 3.8 39.5 1.0 CA B:SER157 3.8 35.5 1.0 N B:SER157 3.9 36.9 1.0 HB B:THR53 3.9 26.4 1.0 CA B:ASN160 3.9 32.3 1.0 C B:SER157 3.9 35.4 1.0 HB3 B:SER157 3.9 39.6 1.0 HA B:PHE161 4.0 33.0 1.0 HB3 B:PHE161 4.1 33.8 1.0 HD2 B:PHE54 4.1 28.9 1.0 HA B:THR53 4.2 31.2 1.0 N B:PHE161 4.2 35.8 1.0 CB B:ASN160 4.3 33.7 1.0 CA B:THR53 4.3 31.8 1.0 H B:ASP55 4.3 35.1 1.0 CB B:ASP299 4.4 29.5 1.0 CB B:PHE54 4.4 28.1 1.0 N B:ASP55 4.4 37.5 1.0 CA B:PHE161 4.5 32.3 1.0 HB3 B:ASN160 4.5 34.1 1.0 CB B:THR53 4.5 26.4 1.0 OD1 B:ASP300 4.6 49.9 1.0 N B:PHE54 4.6 28.6 1.0 CA B:GLY158 4.6 29.1 1.0 HB2 B:ASP299 4.6 30.4 1.0 CB B:ASP55 4.6 40.3 1.0 CA B:GLY155 4.6 26.0 1.0 C B:GLY158 4.7 35.2 1.0 HA B:SER157 4.7 36.3 1.0 C B:SER159 4.7 39.5 1.0 HA B:ASP55 4.7 35.6 1.0 HD1 B:PHE161 4.8 33.6 1.0 HA B:ASN160 4.8 33.6 1.0 HA3 B:GLY158 4.8 30.4 1.0 CB B:PHE161 4.8 34.8 1.0 CA B:PHE54 4.8 27.9 1.0 H B:ASP300 4.8 32.9 1.0 H B:HIS156 4.8 27.8 1.0 HB3 B:ASP299 4.8 30.4 1.0 C B:PHE54 4.8 30.1 1.0 O B:GLY158 4.9 38.8 1.0 CA B:ASP55 4.9 35.4 1.0 O B:SER157 4.9 79.3 1.0 N B:SER159 4.9 34.7 1.0 HA B:ASP299 4.9 30.9 1.0 CD2 B:PHE54 5.0 30.8 1.0 HB3 B:PHE54 5.0 27.7 1.0 HA2 B:GLY155 5.0 26.7 1.0 OG1 B:THR53 5.0 25.2 1.0 H B:PHE161 5.0 34.8 1.0

Calcium binding site 2 out of 2 in the BTUJ2 - DUF4465 Domain Containing Protein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of BTUJ2 - DUF4465 Domain Containing Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:54.9 occ:1.00 O A:THR53 2.0 47.4 1.0 OG A:SER157 2.0 37.8 1.0 O A:ASN160 2.2 40.0 1.0 O A:SER157 2.5 37.4 1.0 OD1 A:ASP299 2.7 37.1 1.0 OD2 A:ASP299 2.8 28.7 1.0 HB3 A:ASP55 3.0 49.0 1.0 CG A:ASP299 3.1 40.9 1.0 OD2 A:ASP55 3.1 70.6 1.0 C A:THR53 3.2 34.7 1.0 C A:ASN160 3.2 36.2 1.0 HB2 A:PHE54 3.3 39.9 1.0 CB A:SER157 3.4 39.0 1.0 C A:SER157 3.4 34.0 1.0 H A:ASN160 3.4 39.5 1.0 HB2 A:ASN160 3.5 42.7 1.0 HB A:THR53 3.5 26.9 1.0 H A:SER157 3.7 38.2 1.0 CB A:ASP55 3.8 43.0 1.0 CG A:ASP55 3.8 67.5 1.0 HB2 A:SER157 3.8 38.1 1.0 H A:ASP55 3.9 46.7 1.0 CA A:SER157 3.9 35.9 1.0 N A:ASN160 3.9 37.0 1.0 CA A:ASN160 3.9 39.5 1.0 HA A:THR53 3.9 31.6 1.0 N A:ASP55 4.0 49.4 1.0 CA A:THR53 4.0 31.0 1.0 HB3 A:SER157 4.0 38.2 1.0 CB A:ASN160 4.1 43.3 1.0 HA A:PHE161 4.1 28.1 1.0 CB A:THR53 4.1 26.0 1.0 HD2 A:PHE54 4.2 37.9 1.0 HA3 A:GLY155 4.2 38.0 1.0 CB A:PHE54 4.2 40.4 1.0 N A:PHE54 4.2 35.7 1.0 N A:SER157 4.2 41.0 1.0 HB3 A:ASN160 4.3 42.6 1.0 N A:PHE161 4.3 32.8 1.0 HA3 A:GLY158 4.3 29.9 1.0 N A:GLY158 4.4 28.9 1.0 C A:PHE54 4.4 40.7 1.0 CA A:ASP55 4.4 47.6 1.0 CA A:PHE54 4.4 36.8 1.0 HB3 A:PHE161 4.4 27.9 1.0 HB2 A:ASP55 4.5 49.0 1.0 HA A:ASP55 4.5 46.7 1.0 OG1 A:THR53 4.6 26.9 1.0 OD1 A:ASP300 4.6 41.6 1.0 CB A:ASP299 4.6 37.3 1.0 CA A:PHE161 4.6 27.3 1.0 CA A:GLY158 4.7 29.8 1.0 HB3 A:PHE54 4.7 39.8 1.0 H A:ASP300 4.8 34.1 1.0 C A:GLY158 4.8 31.0 1.0 HA A:SER157 4.8 36.9 1.0 HA A:ASN160 4.8 39.1 1.0 OD1 A:ASP55 4.8 109.4 1.0 HB2 A:ASP299 4.9 37.1 1.0 CD2 A:PHE54 5.0 38.2 1.0 N A:SER159 5.0 32.0 1.0

R.Juodeikis, R.Ulrich, C.Clarke, M.Banasik, M.Warren, R.Pickersgill. To Be Released (2024). To Be Published.