Titanium in PDB 5dyh: Ti(IV) Bound Human Serum Transferrin

The structure of Ti(IV) Bound Human Serum Transferrin, PDB code: 5dyh was solved by M.Saxena, S.Sharma, N.Noinaj, T.B.Parks, A.D.Tinoco, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.39 / 2.68
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.275, 102.016, 197.899, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 23.7

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

Titanium binding site 1 out of 2 in the Ti(IV) 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 Ti(IV) Bound Human Serum Transferrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ti707 b:0.3 occ:1.00 O6 A:CIT701 2.1 0.2 1.0 O7 A:CIT701 2.1 0.9 1.0 O2 A:CO3708 2.1 0.1 1.0 OH A:TYR517 2.1 0.4 1.0 O1 A:CO3708 2.1 0.8 1.0 OH A:TYR426 2.1 0.7 1.0 C6 A:CIT701 2.4 0.6 1.0 C A:CO3708 2.5 0.7 1.0 C3 A:CIT701 2.7 0.3 1.0 O5 A:CIT701 3.3 0.4 1.0 O4 A:CIT701 3.4 0.9 1.0 CZ A:TYR426 3.4 86.3 1.0 CZ A:TYR517 3.5 0.4 1.0 H21 A:CIT701 3.5 0.9 1.0 HB A:THR457 3.6 0.5 1.0 C2 A:CIT701 3.6 0.3 1.0 HE2 A:TYR426 3.8 0.7 1.0 O3 A:CO3708 3.9 0.1 1.0 HE2 A:TYR517 3.9 0.7 1.0 C4 A:CIT701 4.0 0.5 1.0 CE2 A:TYR426 4.0 87.8 1.0 H A:ALA458 4.0 0.6 1.0 C5 A:CIT701 4.1 0.4 1.0 CE2 A:TYR517 4.2 0.8 1.0 C1 A:CIT701 4.2 0.0 1.0 O1 A:CIT701 4.2 0.6 1.0 H A:THR457 4.2 0.6 1.0 HH12 A:ARG456 4.3 0.3 1.0 CE1 A:TYR426 4.3 80.7 1.0 HE1 A:TYR426 4.4 99.7 1.0 NH1 A:ARG456 4.4 0.7 1.0 HH11 A:ARG456 4.4 0.3 1.0 HE2 A:LYS534 4.4 0.2 1.0 HE1 A:TYR517 4.4 0.3 1.0 CE1 A:TYR517 4.5 0.1 1.0 HB3 A:ALA458 4.5 0.1 1.0 CB A:THR457 4.5 99.5 1.0 H22 A:CIT701 4.5 0.9 1.0 HZ1 A:LYS534 4.5 0.4 1.0 H41 A:CIT701 4.6 0.4 1.0 H42 A:CIT701 4.6 0.4 1.0 HG1 A:THR457 4.6 0.2 1.0 OG1 A:THR457 4.7 0.9 1.0 HB2 A:ALA458 4.7 0.1 1.0 N A:ALA458 4.8 73.0 1.0 HD2 A:ARG456 4.9 0.3 1.0 CZ A:ARG456 4.9 0.0 1.0 N A:THR457 4.9 0.6 1.0

Titanium binding site 2 out of 2 in the Ti(IV) 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 Ti(IV) Bound Human Serum Transferrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ti706 b:0.4 occ:1.00 O2 B:CO3707 2.1 0.0 1.0 O6 B:CIT701 2.1 0.4 1.0 OH B:TYR426 2.1 89.6 1.0 O1 B:CO3707 2.1 0.0 1.0 OH B:TYR517 2.1 0.0 1.0 O7 B:CIT701 2.1 0.8 1.0 C B:CO3707 2.4 0.8 1.0 C6 B:CIT701 2.7 0.5 1.0 C3 B:CIT701 2.9 0.5 1.0 CZ B:TYR426 3.2 82.6 1.0 O4 B:CIT701 3.3 0.8 1.0 CZ B:TYR517 3.5 78.4 1.0 O5 B:CIT701 3.7 0.2 1.0 H21 B:CIT701 3.7 0.8 1.0 HE2 B:TYR426 3.8 99.1 1.0 O3 B:CO3707 3.8 0.3 1.0 C2 B:CIT701 3.8 0.8 1.0 HB B:THR457 3.8 90.6 1.0 CE2 B:TYR426 3.9 79.5 1.0 HE2 B:TYR517 3.9 0.8 1.0 H B:ALA458 4.0 93.1 1.0 CE1 B:TYR426 4.1 82.3 1.0 C4 B:CIT701 4.1 0.6 1.0 C5 B:CIT701 4.1 0.9 1.0 HE1 B:TYR426 4.1 0.6 1.0 HZ3 B:LYS534 4.1 89.7 1.0 CE2 B:TYR517 4.2 75.0 1.0 C1 B:CIT701 4.3 0.7 1.0 HB3 B:ALA458 4.4 0.2 1.0 H B:THR457 4.4 94.8 1.0 HE B:ARG456 4.4 0.5 1.0 HE1 B:TYR517 4.4 0.7 1.0 CE1 B:TYR517 4.4 79.5 1.0 O2 B:CIT701 4.4 94.3 1.0 HD3 B:LYS534 4.5 90.2 1.0 H42 B:CIT701 4.6 0.5 1.0 H22 B:CIT701 4.7 0.8 1.0 HB2 B:ALA458 4.7 0.2 1.0 CB B:THR457 4.8 76.6 1.0 H41 B:CIT701 4.8 0.5 1.0 HG1 B:THR457 4.8 89.5 1.0 N B:ALA458 4.8 77.6 1.0 CB B:ALA458 5.0 86.5 1.0

A.D.Tinoco, M.Saxena, S.Sharma, N.Noinaj, Y.Delgado, E.P.Quinones Gonzalez, S.E.Conklin, N.Zambrana, S.A.Loza-Rosas, T.B.Parks. Unusual Synergism of Transferrin and Citrate in the Regulation of Ti(IV) Speciation, Transport, and Toxicity. J.Am.Chem.Soc. V. 138 5659 2016.
ISSN: ESSN 1520-5126
PubMed: 27070073
DOI: 10.1021/JACS.6B01966