Calcium in PDB 9cuf: Room Temperature Ssx Structure of Ccnir

All present enzymatic activity of Room Temperature Ssx Structure of Ccnir:
1.7.2.2;

The structure of Room Temperature Ssx Structure of Ccnir, PDB code: 9cuf was solved by T.N.Malla, M.Schmidt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.49 / 3.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.84, 95.47, 228.2, 90, 90, 90
R / Rfree (%)	21.2 / 29.8

The structure of Room Temperature Ssx Structure of Ccnir also contains other interesting chemical elements:

Iron

(Fe)

10 atoms

The binding sites of Calcium atom in the Room Temperature Ssx Structure of Ccnir (pdb code 9cuf). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Room Temperature Ssx Structure of Ccnir, PDB code: 9cuf:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Room Temperature Ssx Structure of Ccnir


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Room Temperature Ssx Structure of Ccnir within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca506 b:91.0 occ:1.00 OD2 A:ASP242 3.0 90.5 1.0 OE2 A:GLU205 3.0 92.0 1.0 O A:LYS254 3.1 90.0 1.0 OD1 A:ASP242 3.1 90.3 1.0 OH A:TYR235 3.3 92.2 1.0 O A:TYR206 3.3 94.5 1.0 CG A:ASP242 3.4 90.3 1.0 CB A:TYR207 3.8 94.5 1.0 CZ A:TYR235 3.9 91.5 1.0 C A:LYS254 4.0 90.1 1.0 CE1 A:TYR235 4.0 91.2 1.0 CD A:GLU205 4.1 92.3 1.0 CA A:TYR207 4.2 95.3 1.0 C A:TYR206 4.2 94.4 1.0 CB A:LYS254 4.3 90.6 1.0 N A:LYS254 4.4 89.7 1.0 CA A:LYS254 4.4 90.0 1.0 CE2 A:PHE240 4.4 91.2 1.0 OE1 A:GLU205 4.5 92.2 1.0 N A:TYR207 4.6 94.7 1.0 CD2 A:LEU253 4.6 89.2 1.0 CB A:ASP242 4.9 90.0 1.0 N A:ALA255 5.0 90.1 1.0

Calcium binding site 2 out of 2 in the Room Temperature Ssx Structure of Ccnir


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Room Temperature Ssx Structure of Ccnir within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca506 b:93.9 occ:1.00 O B:TYR206 2.4 95.7 1.0 O B:LYS254 3.0 92.7 1.0 OH B:TYR235 3.2 91.7 1.0 C B:TYR206 3.2 95.5 1.0 OE2 B:GLU205 3.3 92.4 1.0 CD B:GLU205 3.6 93.4 1.0 OE1 B:GLU205 3.8 93.7 1.0 N B:TYR207 3.8 95.1 1.0 OD1 B:ASP242 3.9 90.4 1.0 CA B:TYR207 4.0 94.7 1.0 CE2 B:TYR235 4.0 90.6 1.0 CZ B:TYR235 4.0 90.8 1.0 N B:TYR206 4.1 95.7 1.0 C B:LYS254 4.1 92.3 1.0 OD2 B:ASP242 4.2 91.2 1.0 CB B:TYR207 4.2 93.5 1.0 CA B:TYR206 4.3 95.7 1.0 CG B:ASP242 4.5 90.8 1.0 CG B:GLU205 4.6 93.6 1.0 N B:LYS254 4.9 91.0 1.0 CA B:LYS254 5.0 91.9 1.0

T.N.Malla, S.Muniyappan, D.Menendez, F.Ogukwe, A.N.Dale, J.D.Clayton, D.D.Weatherall, P.Karki, S.Dangi, V.Mandella, A.A.Pacheco, E.A.Stojkovic, S.L.Rose, J.Orlans, S.Basu, D.De Sanctis, M.Schmidt. Exploiting Fourth-Generation Synchrotron Radiation For Enzyme and Photoreceptor Characterization. Iucrj 2025.
ISSN: ESSN 2052-2525
PubMed: 39575537
DOI: 10.1107/S2052252524010868