Titanium in PDB 5h52: Structure of Titanium-Bound Human Serum Transferrin

The structure of Structure of Titanium-Bound Human Serum Transferrin, PDB code: 5h52 was solved by J.P.Curtin, M.Wang, H.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	103.97 / 3.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	138.977, 156.667, 107.855, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.4

The binding sites of Titanium atom in the Structure of Titanium-Bound Human Serum Transferrin (pdb code 5h52). This binding sites where shown within 5.0 Angstroms radius around Titanium atom.
In total 2 binding sites of Titanium where determined in the Structure of Titanium-Bound Human Serum Transferrin, PDB code: 5h52:
Jump to Titanium binding site number: 1; 2;

Titanium binding site 1 out of 2 in the Structure of Titanium-Bound Human Serum Transferrin


Mono view


Stereo pair view

A full contact list of Titanium with other atoms in the Ti binding site number 1 of Structure of Titanium-Bound Human Serum Transferrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ti702 b:42.0 occ:1.00 O9 A:MLI701 2.0 34.5 1.0 OH A:TYR517 2.1 55.1 1.0 O7 A:MLI701 2.1 43.0 1.0 NE2 A:HIS585 2.1 45.1 1.0 OD1 A:ASP392 2.3 56.2 1.0 OH A:TYR426 2.6 84.8 1.0 CD2 A:HIS585 2.9 46.9 1.0 CG A:ASP392 3.1 41.7 1.0 C2 A:MLI701 3.1 38.3 1.0 C3 A:MLI701 3.1 37.7 1.0 O A:HOH801 3.2 45.6 1.0 CE1 A:HIS585 3.2 45.8 1.0 CZ A:TYR517 3.4 47.5 1.0 CB A:ASP392 3.5 37.5 1.0 C1 A:MLI701 3.6 31.4 1.0 NH1 A:ARG632 3.8 80.4 1.0 CZ A:TYR426 3.8 95.9 1.0 OD2 A:ASP392 4.1 38.3 1.0 CG A:HIS585 4.1 48.5 1.0 O8 A:MLI701 4.1 42.3 1.0 CB A:THR457 4.2 60.5 1.0 CA A:ASP392 4.2 40.8 1.0 O6 A:MLI701 4.2 40.2 1.0 CE1 A:TYR517 4.2 42.9 1.0 CE2 A:TYR517 4.2 42.3 1.0 ND1 A:HIS585 4.2 43.5 1.0 OG1 A:THR457 4.3 55.7 1.0 CE2 A:TYR426 4.3 0.1 1.0 N A:THR457 4.7 48.4 1.0 N A:GLY393 4.7 42.8 1.0 N A:ALA458 4.8 50.4 1.0 CE1 A:TYR426 4.9 86.7 1.0 CA A:THR457 5.0 55.9 1.0 C A:ASP392 5.0 40.0 1.0

Titanium binding site 2 out of 2 in the Structure of Titanium-Bound Human Serum Transferrin


Mono view


Stereo pair view

A full contact list of Titanium with other atoms in the Ti binding site number 2 of Structure of Titanium-Bound Human Serum Transferrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ti703 b:54.5 occ:1.00 O A:HOH805 1.8 43.7 1.0 O A:HOH806 2.0 44.1 1.0 OH A:TYR188 2.1 97.5 1.0 O6 A:CIT704 2.1 0.3 1.0 C6 A:CIT704 2.2 0.6 1.0 O5 A:CIT704 2.5 93.0 1.0 O7 A:CIT704 2.6 80.2 1.0 C3 A:CIT704 3.1 0.4 1.0 CZ A:TYR188 3.1 89.7 1.0 CE1 A:TYR188 3.7 83.1 1.0 N A:ALA126 3.8 35.6 1.0 CE2 A:TYR188 4.0 76.3 1.0 C4 A:CIT704 4.1 89.2 1.0 CB A:ALA126 4.1 24.0 1.0 N A:SER125 4.1 37.2 1.0 C2 A:CIT704 4.2 0.7 1.0 CB A:ARG124 4.2 34.5 1.0 OG1 A:THR120 4.3 37.8 1.0 CD A:ARG124 4.4 43.1 1.0 CA A:ALA126 4.5 31.4 1.0 CA A:SER125 4.6 31.9 1.0 C A:SER125 4.6 33.7 1.0 N A:GLY127 4.6 22.9 1.0 CB A:SER125 4.7 37.4 1.0 C1 A:CIT704 4.7 0.7 1.0 O2 A:CIT704 4.7 98.4 1.0 C A:ARG124 4.8 39.0 1.0 CG A:ARG124 4.9 39.4 1.0 C5 A:CIT704 4.9 0.7 1.0 CA A:ARG124 5.0 32.0 1.0 CD1 A:TYR188 5.0 93.6 1.0 CD A:LYS206 5.0 93.0 1.0

J.P.Curtin, M.Wang, T.Cheng, L.Jin, H.Sun. The Role of Citrate, Lactate and Transferrin in Determining Titanium Release From Surgical Devices Into Human Serum. J. Biol. Inorg. Chem. V. 23 471 2018.
ISSN: ESSN 1432-1327
PubMed: 29623422
DOI: 10.1007/S00775-018-1557-5