Calcium in PDB 4xz6: Tmox in Complex with Tmao

The structure of Tmox in Complex with Tmao, PDB code: 4xz6 was solved by Y.Z.Zhang, C.Y.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.15 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	29.624, 134.979, 58.366, 90.00, 90.15, 90.00
R / Rfree (%)	17.4 / 24

The binding sites of Calcium atom in the Tmox in Complex with Tmao (pdb code 4xz6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Tmox in Complex with Tmao, PDB code: 4xz6:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Tmox in Complex with Tmao


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Tmox in Complex with Tmao within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:37.4 occ:1.00 O A:ALA257 2.3 30.8 1.0 O A:VAL251 2.4 34.1 1.0 O A:ASN254 2.5 31.8 1.0 OD1 A:ASP260 2.6 32.0 1.0 O A:HOH570 2.7 41.3 1.0 O A:PRO249 2.7 41.0 1.0 OD2 A:ASP260 2.8 36.7 1.0 CG A:ASP260 2.9 31.1 1.0 C A:ASN254 3.5 35.4 1.0 C A:ALA257 3.5 33.9 1.0 C A:PRO249 3.6 41.9 1.0 C A:VAL251 3.6 42.9 1.0 CA A:PRO249 3.8 42.7 1.0 N A:ALA257 4.2 34.9 1.0 CB A:ASP260 4.3 33.7 1.0 CA A:ASN254 4.3 33.9 1.0 N A:VAL251 4.3 45.0 1.0 CB A:ASN254 4.4 33.1 1.0 CA A:GLY252 4.4 30.6 1.0 N A:PRO255 4.4 40.4 1.0 N A:ASN254 4.4 35.1 1.0 N A:LEU258 4.4 34.5 1.0 CA A:LEU258 4.4 38.8 1.0 N A:GLY252 4.4 31.6 1.0 CA A:ALA257 4.5 31.2 1.0 CA A:PRO255 4.5 38.8 1.0 O A:ASP248 4.5 47.7 1.0 CA A:VAL251 4.6 44.6 1.0 C A:GLY252 4.6 32.4 1.0 CG1 A:VAL251 4.7 46.1 1.0 C A:PRO255 4.7 39.5 1.0 O A:GLY252 4.7 38.8 1.0 N A:ASP256 4.7 38.2 1.0 N A:ALA250 4.7 49.9 1.0 N A:PRO249 4.8 50.5 1.0 CB A:PRO249 4.8 34.0 1.0 C A:LEU258 4.8 37.4 1.0 N A:ASP260 4.9 33.4 1.0 C A:ALA250 5.0 48.4 1.0 SG A:CYS245 5.0 58.0 1.0

Calcium binding site 2 out of 2 in the Tmox in Complex with Tmao


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Tmox in Complex with Tmao within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:29.1 occ:1.00 O B:VAL251 2.3 27.3 1.0 O B:ALA257 2.4 25.9 1.0 O B:PRO249 2.5 30.5 1.0 O B:ASN254 2.5 27.0 1.0 O B:HOH581 2.6 31.3 1.0 OD1 B:ASP260 2.6 30.8 1.0 OD2 B:ASP260 2.7 28.2 1.0 CG B:ASP260 3.0 30.3 1.0 C B:VAL251 3.4 30.7 1.0 C B:PRO249 3.5 23.3 1.0 C B:ASN254 3.6 27.4 1.0 C B:ALA257 3.6 27.7 1.0 CA B:PRO249 3.9 25.1 1.0 N B:VAL251 4.1 27.3 1.0 CA B:GLY252 4.2 27.6 1.0 N B:GLY252 4.2 29.1 1.0 N B:ALA257 4.3 29.9 1.0 CA B:VAL251 4.4 29.6 1.0 N B:ASN254 4.4 27.6 1.0 CB B:ASP260 4.4 24.6 1.0 CA B:ASN254 4.4 24.8 1.0 CA B:ALA257 4.5 28.4 1.0 N B:PRO255 4.5 35.2 1.0 CA B:PRO255 4.5 29.1 1.0 N B:LEU258 4.5 24.2 1.0 C B:GLY252 4.5 28.1 1.0 CA B:LEU258 4.5 26.7 1.0 O B:ASP248 4.5 28.8 1.0 N B:ALA250 4.6 23.9 1.0 C B:ALA250 4.6 30.6 1.0 CB B:ASN254 4.6 24.8 1.0 O B:GLY252 4.7 31.8 1.0 C B:PRO255 4.7 24.9 1.0 CB B:PRO249 4.8 24.7 1.0 C B:LEU258 4.9 24.4 1.0 CA B:ALA250 5.0 24.4 1.0

C.Y.Li, X.L.Chen, X.Shao, T.D.Wei, P.Wang, B.B.Xie, Q.L.Qin, X.Y.Zhang, H.N.Su, X.Y.Song, M.Shi, B.C.Zhou, Y.Z.Zhang. Mechanistic Insight Into Trimethylamine N-Oxide Recognition By the Marine Bacterium Ruegeria Pomeroyi Dss-3 J.Bacteriol. V. 197 3378 2015.
ISSN: ESSN 1098-5530
PubMed: 26283766
DOI: 10.1128/JB.00542-15