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Aluminium in PDB 1e2e: Human Thymidylate Kinase Complexed with Thymidine Monophosphate, Adenosine Diphosphate,A Magnesium-Ion and ALF3

Enzymatic activity of Human Thymidylate Kinase Complexed with Thymidine Monophosphate, Adenosine Diphosphate,A Magnesium-Ion and ALF3

All present enzymatic activity of Human Thymidylate Kinase Complexed with Thymidine Monophosphate, Adenosine Diphosphate,A Magnesium-Ion and ALF3:
2.7.4.9;

Protein crystallography data

The structure of Human Thymidylate Kinase Complexed with Thymidine Monophosphate, Adenosine Diphosphate,A Magnesium-Ion and ALF3, PDB code: 1e2e was solved by N.Ostermann, I.Schlichting, R.Brundiers, M.Konrad, J.Reinstein, T.Veit, R.S.Goody, A.Lavie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 71.80 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 101.600, 101.600, 49.900, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 27.2

Other elements in 1e2e:

The structure of Human Thymidylate Kinase Complexed with Thymidine Monophosphate, Adenosine Diphosphate,A Magnesium-Ion and ALF3 also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Magnesium (Mg) 2 atoms

Aluminium Binding Sites:

The binding sites of Aluminium atom in the Human Thymidylate Kinase Complexed with Thymidine Monophosphate, Adenosine Diphosphate,A Magnesium-Ion and ALF3 (pdb code 1e2e). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total only one binding site of Aluminium was determined in the Human Thymidylate Kinase Complexed with Thymidine Monophosphate, Adenosine Diphosphate,A Magnesium-Ion and ALF3, PDB code: 1e2e:

Aluminium binding site 1 out of 1 in 1e2e

Go back to Aluminium Binding Sites List in 1e2e
Aluminium binding site 1 out of 1 in the Human Thymidylate Kinase Complexed with Thymidine Monophosphate, Adenosine Diphosphate,A Magnesium-Ion and ALF3


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Human Thymidylate Kinase Complexed with Thymidine Monophosphate, Adenosine Diphosphate,A Magnesium-Ion and ALF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Al901

b:63.2
occ:1.00
 AL A:AF3901 0.0 63.2 1.0
F3 A:AF3901 1.6 66.5 1.0
F2 A:AF3901 1.6 64.9 1.0
F1 A:AF3901 1.6 61.4 1.0
O3B A:ADP302 2.2 39.6 1.0
O2P A:TMP301 2.6 46.4 1.0
PB A:ADP302 3.2 33.0 1.0
MG A:MG401 3.2 36.5 1.0
O2B A:ADP302 3.3 32.4 1.0
O A:HOH2058 3.7 35.7 1.0
NH2 A:ARG97 3.8 41.9 1.0
NZ A:LYS19 3.9 29.5 1.0
O1B A:ADP302 3.9 33.1 1.0
N A:ARG16 4.0 54.9 1.0
O A:HOH2013 4.0 48.5 1.0
O A:HOH2012 4.0 34.1 1.0
OD1 A:ASP15 4.0 77.2 1.0
CA A:ASP15 4.0 60.4 1.0
O A:HOH2172 4.1 32.3 1.0
P A:TMP301 4.1 48.4 1.0
CG A:ASP15 4.2 70.7 1.0
CB A:ASP15 4.2 64.1 1.0
CE A:LYS19 4.5 32.8 1.0
O3A A:ADP302 4.6 36.6 1.0
C A:ASP15 4.6 57.4 1.0
O3P A:TMP301 4.6 43.3 1.0
OD2 A:ASP15 4.8 70.0 1.0
O1P A:TMP301 4.9 47.7 1.0
CZ A:ARG97 4.9 39.2 1.0
CA A:ARG16 4.9 50.9 1.0
O5' A:TMP301 4.9 46.6 1.0
O1A A:ADP302 5.0 35.7 1.0

Reference:

N.Ostermann, I.Schlichting, R.Brundiers, M.Konrad, J.Reinstein, T.Veit, R.S.Goody, A.Lavie. Insights Into the Phosphoryltransfer Mechanism of Human Thymidylate Kinase Gained From Crystal Structures of Enzyme Complexes Along the Reaction Coordinate Structure V. 8 629 2000.
ISSN: ISSN 0969-2126
PubMed: 10873853
DOI: 10.1016/S0969-2126(00)00149-0
Page generated: Sun Jul 6 21:34:15 2025

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