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Magnesium in PDB 2ieh: Crystal Structure of Human Kinesin EG5 in Complex with (R)- MON97, A New Monastrol-Based Inhibitor That Binds As (R)- Enantiomer

Enzymatic activity of Crystal Structure of Human Kinesin EG5 in Complex with (R)- MON97, A New Monastrol-Based Inhibitor That Binds As (R)- Enantiomer

All present enzymatic activity of Crystal Structure of Human Kinesin EG5 in Complex with (R)- MON97, A New Monastrol-Based Inhibitor That Binds As (R)- Enantiomer:
3.6.4.4;

Protein crystallography data

The structure of Crystal Structure of Human Kinesin EG5 in Complex with (R)- MON97, A New Monastrol-Based Inhibitor That Binds As (R)- Enantiomer, PDB code: 2ieh was solved by I.Garcia-Saez, F.Kozielski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.370, 79.900, 159.860, 90.00, 90.00, 90.00
R / Rfree (%) 23.4 / 28.1

Other elements in 2ieh:

The structure of Crystal Structure of Human Kinesin EG5 in Complex with (R)- MON97, A New Monastrol-Based Inhibitor That Binds As (R)- Enantiomer also contains other interesting chemical elements:

Potassium (K) 1 atom
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Kinesin EG5 in Complex with (R)- MON97, A New Monastrol-Based Inhibitor That Binds As (R)- Enantiomer (pdb code 2ieh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human Kinesin EG5 in Complex with (R)- MON97, A New Monastrol-Based Inhibitor That Binds As (R)- Enantiomer, PDB code: 2ieh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 2ieh

Go back to Magnesium Binding Sites List in 2ieh
Magnesium binding site 1 out of 2 in the Crystal Structure of Human Kinesin EG5 in Complex with (R)- MON97, A New Monastrol-Based Inhibitor That Binds As (R)- Enantiomer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Kinesin EG5 in Complex with (R)- MON97, A New Monastrol-Based Inhibitor That Binds As (R)- Enantiomer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:11.9
occ:1.00
O A:HOH613 2.4 8.1 1.0
OG1 A:THR112 2.4 15.1 1.0
O A:HOH616 2.5 2.2 1.0
O A:HOH612 2.5 2.0 1.0
O3B A:ADP600 2.6 5.5 1.0
CB A:THR112 3.5 12.3 1.0
O1B A:ADP600 3.6 5.4 1.0
PB A:ADP600 3.6 19.4 1.0
O A:HOH614 3.7 2.0 1.0
O A:SER232 3.8 15.1 1.0
O2A A:ADP600 4.0 8.8 1.0
CG2 A:THR112 4.4 8.3 1.0
O A:HOH709 4.4 42.5 1.0
O A:HOH673 4.4 29.3 1.0
OD2 A:ASP265 4.4 25.4 1.0
N A:THR112 4.4 8.8 1.0
O A:HOH711 4.5 50.7 1.0
O3A A:ADP600 4.5 7.9 1.0
CA A:THR112 4.5 8.8 1.0
PA A:ADP600 4.7 4.0 1.0
C A:SER232 4.8 15.3 1.0
O2B A:ADP600 4.8 14.1 1.0
O A:HOH670 4.9 9.4 1.0
CB A:SER232 4.9 4.8 1.0

Magnesium binding site 2 out of 2 in 2ieh

Go back to Magnesium Binding Sites List in 2ieh
Magnesium binding site 2 out of 2 in the Crystal Structure of Human Kinesin EG5 in Complex with (R)- MON97, A New Monastrol-Based Inhibitor That Binds As (R)- Enantiomer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human Kinesin EG5 in Complex with (R)- MON97, A New Monastrol-Based Inhibitor That Binds As (R)- Enantiomer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg604

b:11.5
occ:1.00
OG1 B:THR112 2.4 15.5 1.0
O3B B:ADP603 2.5 10.8 1.0
O B:HOH609 2.5 9.1 1.0
O B:HOH610 2.6 18.3 1.0
O B:HOH612 2.6 3.9 1.0
O1B B:ADP603 3.1 18.8 1.0
PB B:ADP603 3.3 13.8 1.0
CB B:THR112 3.3 19.3 1.0
O2A B:ADP603 3.6 26.5 1.0
O B:SER232 3.9 26.5 1.0
O B:HOH606 4.0 6.8 1.0
O B:HOH637 4.1 41.5 1.0
O3A B:ADP603 4.2 17.9 1.0
N B:THR112 4.2 13.7 1.0
PA B:ADP603 4.4 17.1 1.0
CG2 B:THR112 4.4 13.6 1.0
CA B:THR112 4.4 16.6 1.0
O2B B:ADP603 4.6 22.0 1.0
O1A B:ADP603 4.8 21.1 1.0
O B:HOH621 4.8 35.6 1.0
OD2 B:ASP265 4.9 29.2 1.0
C B:SER232 4.9 21.8 1.0
OD1 B:ASP265 5.0 13.9 1.0

Reference:

I.Garcia-Saez, S.Debonis, R.Lopez, F.Trucco, B.Rousseau, P.Thuery, F.Kozielski. Structure of Human EG5 in Complex with A New Monastrol-Based Inhibitor Bound in the R Configuration. J.Biol.Chem. V. 282 9740 2007.
ISSN: ISSN 0021-9258
PubMed: 17251189
DOI: 10.1074/JBC.M608883200
Page generated: Mon Dec 14 07:27:13 2020

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