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

Protein crystallography data

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

Titanium Binding Sites:

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 5h52

Go back to Titanium Binding Sites List in 5h52
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 5h52

Go back to Titanium Binding Sites List in 5h52
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

Reference:

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
Page generated: Wed Dec 16 02:28:23 2020

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