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Magnesium in PDB 2w7x: Cellular Inhibition of Checkpoint Kinase 2 and Potentiation of Cytotoxic Drugs By Novel CHK2 Inhibitor PV1019

Enzymatic activity of Cellular Inhibition of Checkpoint Kinase 2 and Potentiation of Cytotoxic Drugs By Novel CHK2 Inhibitor PV1019

All present enzymatic activity of Cellular Inhibition of Checkpoint Kinase 2 and Potentiation of Cytotoxic Drugs By Novel CHK2 Inhibitor PV1019:
2.7.11.1;

Protein crystallography data

The structure of Cellular Inhibition of Checkpoint Kinase 2 and Potentiation of Cytotoxic Drugs By Novel CHK2 Inhibitor PV1019, PDB code: 2w7x was solved by A.G.Jobson, G.T.Lountos, P.L.Lorenzi, J.Llamas, J.Connelly, J.E.Tropea, A.Onda, S.Kondapaka, G.Zhang, N.J.Caplen, J.H.Caredellina, A.Monks, C.Self, D.S.Waugh, R.H.Shoemaker, Y.Pommier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.07
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.866, 90.866, 93.340, 90.00, 90.00, 120.00
R / Rfree (%) 19.3 / 22

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Cellular Inhibition of Checkpoint Kinase 2 and Potentiation of Cytotoxic Drugs By Novel CHK2 Inhibitor PV1019 (pdb code 2w7x). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Cellular Inhibition of Checkpoint Kinase 2 and Potentiation of Cytotoxic Drugs By Novel CHK2 Inhibitor PV1019, PDB code: 2w7x:

Magnesium binding site 1 out of 1 in 2w7x

Go back to Magnesium Binding Sites List in 2w7x
Magnesium binding site 1 out of 1 in the Cellular Inhibition of Checkpoint Kinase 2 and Potentiation of Cytotoxic Drugs By Novel CHK2 Inhibitor PV1019


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cellular Inhibition of Checkpoint Kinase 2 and Potentiation of Cytotoxic Drugs By Novel CHK2 Inhibitor PV1019 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:56.8
occ:1.00
 O A:HOH2097 2.1 50.7 1.0
OD2 A:ASP347 2.4 37.4 1.0
O A:HOH2094 2.5 44.1 1.0
OD2 A:ASP368 2.5 33.7 1.0
O A:HOH2092 2.5 55.3 1.0
NE2 A:HIS371 3.3 44.2 1.0
CD2 A:HIS371 3.5 42.1 1.0
CG A:ASP368 3.5 30.3 1.0
CG A:ASP347 3.5 34.6 1.0
OD1 A:ASP368 3.8 29.0 1.0
ND2 A:ASN352 4.3 30.4 1.0
NZ A:LYS349 4.3 44.4 1.0
OD1 A:ASP347 4.3 36.7 1.0
CB A:ASP347 4.5 31.5 1.0
CE1 A:HIS371 4.6 44.4 1.0
CE A:LYS349 4.7 37.8 1.0
CB A:ASP368 4.8 29.7 1.0
CG A:HIS371 4.8 37.2 1.0
O A:HOH2189 4.9 54.0 1.0
OD1 A:ASN352 5.0 34.8 1.0

Reference:

A.G.Jobson, G.T.Lountos, P.L.Lorenzi, J.Llamas, J.Connelly, D.Cerna, J.E.Tropea, A.Onda, G.Zoppoli, S.Kondapaka, G.Zhang, N.J.Caplen, J.H.Cardellina, S.S.Yoo, A.Monks, C.Self, D.S.Waugh, R.H.Shoemaker, Y.Pommier. Cellular Inhibition of CHK2 Kinase and Potentiation of Camptothecins and Radiation By the Novel CHK2 Inhibitor PV1019. J.Pharmacol.Exp.Ther. V. 331 816 2009.
ISSN: ISSN 0022-3565
PubMed: 19741151
DOI: 10.1124/JPET.109.154997
Page generated: Wed Aug 14 05:58:53 2024

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