Atomistry » Magnesium » PDB 1e9a-1en9 » 1e9a
Atomistry »
  Magnesium »
    PDB 1e9a-1en9 »
      1e9a »

Magnesium in PDB 1e9a: Human Thymidylate Kinase Complexed with the Bisubstrate Inhibitor AZTP5A

Enzymatic activity of Human Thymidylate Kinase Complexed with the Bisubstrate Inhibitor AZTP5A

All present enzymatic activity of Human Thymidylate Kinase Complexed with the Bisubstrate Inhibitor AZTP5A:
2.7.4.9;

Protein crystallography data

The structure of Human Thymidylate Kinase Complexed with the Bisubstrate Inhibitor AZTP5A, PDB code: 1e9a was solved by N.Ostermann, A.Lavie, S.Padiyar, R.Brundiers, T.Veit, J.Reintein, R.S.Goody, M.Konrad, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.50 / 1.60
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 101.600, 101.600, 49.850, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 22

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Human Thymidylate Kinase Complexed with the Bisubstrate Inhibitor AZTP5A (pdb code 1e9a). 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 the Bisubstrate Inhibitor AZTP5A, PDB code: 1e9a:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1e9a

Go back to Magnesium Binding Sites List in 1e9a
Magnesium binding site 1 out of 2 in the Human Thymidylate Kinase Complexed with the Bisubstrate Inhibitor AZTP5A


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 the Bisubstrate Inhibitor AZTP5A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:21.5
occ:1.00
O6P A:Z5A301 2.0 32.5 1.0
O7P A:Z5A301 2.0 18.2 1.0
O A:HOH2152 2.1 19.6 1.0
O A:HOH2277 2.1 21.5 1.0
OG A:SER20 2.2 16.1 1.0
O A:HOH2031 2.3 23.3 1.0
PC A:Z5A301 3.3 40.0 1.0
PD A:Z5A301 3.3 20.3 1.0
CB A:SER20 3.3 15.2 1.0
OPC A:Z5A301 3.4 22.8 1.0
O1P A:Z5A301 3.9 26.0 1.0
N A:SER20 4.0 15.0 1.0
OPA A:Z5A301 4.1 36.4 1.0
OPB A:Z5A301 4.2 37.6 1.0
O A:HOH2151 4.2 24.1 1.0
CA A:SER20 4.2 14.0 1.0
OD2 A:ASP96 4.2 17.4 1.0
O9P A:Z5A301 4.2 18.4 1.0
O5P A:Z5A301 4.3 40.3 1.0
OPD A:Z5A301 4.3 22.2 1.0
O8P A:Z5A301 4.3 20.9 1.0
PA A:Z5A301 4.3 32.5 1.0
OD1 A:ASP96 4.4 17.4 1.0
O A:HOH2153 4.5 42.0 1.0
PE A:Z5A301 4.7 18.8 1.0
O A:HOH2039 4.7 41.6 1.0
CG A:ASP96 4.7 14.4 1.0
O2P A:Z5A301 4.7 33.3 1.0
O A:HOH2288 4.8 44.0 1.0
CE A:LYS19 4.9 24.2 1.0
O A:HOH2078 5.0 35.8 1.0
CB A:LYS19 5.0 15.9 1.0

Magnesium binding site 2 out of 2 in 1e9a

Go back to Magnesium Binding Sites List in 1e9a
Magnesium binding site 2 out of 2 in the Human Thymidylate Kinase Complexed with the Bisubstrate Inhibitor AZTP5A


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 the Bisubstrate Inhibitor AZTP5A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:22.8
occ:0.50
O A:HOH2168 2.1 27.6 1.0
O A:HOH2073 2.1 32.6 1.0
O A:HOH2170 2.2 27.6 1.0
OE1 A:GLN119 4.2 16.7 1.0
OD2 A:ASP115 4.2 23.3 1.0
OD1 A:ASP115 4.3 24.1 1.0
CD A:GLN119 4.5 15.6 1.0
NE2 A:GLN119 4.7 19.2 1.0
O A:HOH2178 4.7 37.8 1.0
CG A:ASP115 4.8 23.1 1.0

Reference:

N.Ostermann, A.Lavie, S.Padiyar, R.Brundiers, T.Veit, J.Reintein, R.S.Goody, M.Konrad, I.Schlichting. Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons For the Mutants' Improved Kinetics with the Hiv Prodrug Metabolite Aztmp J.Mol.Biol. V. 304 43 2000.
ISSN: ISSN 0022-2836
PubMed: 11071809
DOI: 10.1006/JMBI.2000.4175
Page generated: Mon Dec 14 05:51:36 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy