Atomistry » Magnesium » PDB 1duh-1e9a » 1e2e
Atomistry »
  Magnesium »
    PDB 1duh-1e9a »
      1e2e »

Magnesium 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
Aluminium (Al) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human Thymidylate Kinase Complexed with Thymidine Monophosphate, Adenosine Diphosphate,A Magnesium-Ion and ALF3, PDB code: 1e2e:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1e2e

Go back to Magnesium Binding Sites List in 1e2e
Magnesium binding site 1 out of 2 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 Magnesium with other atoms in the Mg 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:Mg401

b:36.5
occ:1.00
 F1 A:AF3901 1.9 61.4 1.0
O A:HOH2013 2.0 48.5 1.0
O2B A:ADP302 2.0 32.4 1.0
OG A:SER20 2.1 35.9 1.0
O A:HOH2172 2.1 32.3 1.0
O A:HOH2012 2.1 34.1 1.0
CB A:SER20 3.2 30.4 1.0
PB A:ADP302 3.2 33.0 1.0
AL A:AF3901 3.2 63.2 1.0
O3B A:ADP302 3.6 39.6 1.0
F3 A:AF3901 3.7 66.5 1.0
O2P A:TMP301 3.8 46.4 1.0
O A:HOH2003 3.8 62.9 1.0
O1A A:ADP302 4.0 35.7 1.0
N A:SER20 4.0 30.2 1.0
CA A:SER20 4.2 29.5 1.0
O3P A:TMP301 4.2 43.3 1.0
OD2 A:ASP96 4.2 31.7 1.0
O1B A:ADP302 4.3 33.1 1.0
O3A A:ADP302 4.4 36.6 1.0
P A:TMP301 4.4 48.4 1.0
OD1 A:ASP96 4.5 26.8 1.0
F2 A:AF3901 4.6 64.9 1.0
PA A:ADP302 4.6 37.1 1.0
O1P A:TMP301 4.6 47.7 1.0
CG A:ASP96 4.7 33.2 1.0
CB A:LYS19 4.9 32.8 1.0
CE A:LYS19 4.9 32.8 1.0
O2A A:ADP302 4.9 36.0 1.0

Magnesium binding site 2 out of 2 in 1e2e

Go back to Magnesium Binding Sites List in 1e2e
Magnesium binding site 2 out of 2 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 Magnesium with other atoms in the Mg binding site number 2 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:Mg402

b:42.4
occ:0.50
 O A:HOH2100 2.2 38.1 1.0
O A:HOH2102 2.2 50.6 1.0
O A:HOH2050 2.3 53.8 1.0
OE1 A:GLN119 4.1 31.0 1.0
OD2 A:ASP115 4.2 46.9 1.0
OD1 A:ASP115 4.2 44.8 1.0
CD A:GLN119 4.3 32.1 1.0
NE2 A:GLN119 4.5 32.5 1.0
CG A:ASP115 4.7 46.5 1.0
O A:HOH2106 4.7 58.0 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: Tue Aug 13 02:50:04 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy