Atomistry » Magnesium » PDB 2reu-2uxc » 2uwd
Atomistry »
  Magnesium »
    PDB 2reu-2uxc »
      2uwd »

Magnesium in PDB 2uwd: Inhibition of the HSP90 Molecular Chaperone in Vitro and in Vivo By Novel, Synthetic, Potent Resorcinylic Pyrazole, Isoxazole Amide Analogs

Protein crystallography data

The structure of Inhibition of the HSP90 Molecular Chaperone in Vitro and in Vivo By Novel, Synthetic, Potent Resorcinylic Pyrazole, Isoxazole Amide Analogs, PDB code: 2uwd was solved by S.Y.Sharp, C.Prodromou, K.Boxall, M.V.Powers, J.L.Holmes, G.Box, T.P.Matthews, K.M.Cheung, A.Kalusa, K.James, A.Hayes, A.Hardcastle, B.Dymock, P.A.Brough, X.Barril, J.E.Cansfield, L.M.Wright, A.Surgenor, N.Foloppe, W.Aherne, L.Pearl, K.Jones, E.Mcdonald, F.Raynaud, S.Eccles, M.Drysdale, P.Workman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 65.94 / 1.90
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 65.297, 88.683, 99.701, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 25.9

Other elements in 2uwd:

The structure of Inhibition of the HSP90 Molecular Chaperone in Vitro and in Vivo By Novel, Synthetic, Potent Resorcinylic Pyrazole, Isoxazole Amide Analogs also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Inhibition of the HSP90 Molecular Chaperone in Vitro and in Vivo By Novel, Synthetic, Potent Resorcinylic Pyrazole, Isoxazole Amide Analogs (pdb code 2uwd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Inhibition of the HSP90 Molecular Chaperone in Vitro and in Vivo By Novel, Synthetic, Potent Resorcinylic Pyrazole, Isoxazole Amide Analogs, PDB code: 2uwd:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 2uwd

Go back to Magnesium Binding Sites List in 2uwd
Magnesium binding site 1 out of 2 in the Inhibition of the HSP90 Molecular Chaperone in Vitro and in Vivo By Novel, Synthetic, Potent Resorcinylic Pyrazole, Isoxazole Amide Analogs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Inhibition of the HSP90 Molecular Chaperone in Vitro and in Vivo By Novel, Synthetic, Potent Resorcinylic Pyrazole, Isoxazole Amide Analogs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1225

b:56.0
occ:1.00
O A:HOH2076 3.3 40.8 1.0
O A:ASP86 3.3 28.9 1.0
O A:ARG87 3.3 25.4 1.0
CB A:HIS189 3.4 23.5 1.0
CA A:HIS189 3.6 22.8 1.0
CB A:ARG87 3.8 27.4 1.0
C A:HIS189 3.8 22.2 1.0
N A:LEU190 3.8 22.1 1.0
OE2 A:GLU146 4.0 38.9 1.0
C A:ARG87 4.0 25.8 1.0
O A:LEU190 4.1 22.8 1.0
ND1 A:HIS189 4.2 29.7 1.0
CG A:HIS189 4.3 26.7 1.0
CD A:ARG87 4.3 33.8 1.0
CA A:ARG87 4.4 27.1 1.0
C A:ASP86 4.4 30.1 1.0
NH1 A:ARG87 4.5 38.8 1.0
O A:HIS189 4.5 21.2 1.0
NE A:ARG87 4.5 39.5 1.0
CG A:ARG87 4.6 28.7 1.0
CZ A:ARG87 4.6 40.0 1.0
CG2 A:THR88 4.6 23.5 1.0
N A:ARG87 4.9 28.7 1.0
CD A:GLU146 4.9 29.4 1.0
CA A:LEU190 4.9 22.9 1.0
C A:LEU190 4.9 23.6 1.0

Magnesium binding site 2 out of 2 in 2uwd

Go back to Magnesium Binding Sites List in 2uwd
Magnesium binding site 2 out of 2 in the Inhibition of the HSP90 Molecular Chaperone in Vitro and in Vivo By Novel, Synthetic, Potent Resorcinylic Pyrazole, Isoxazole Amide Analogs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Inhibition of the HSP90 Molecular Chaperone in Vitro and in Vivo By Novel, Synthetic, Potent Resorcinylic Pyrazole, Isoxazole Amide Analogs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1226

b:25.2
occ:1.00
OG A:SER113 3.0 30.6 1.0
O A:HOH2175 3.0 26.1 1.0
N A:SER113 3.3 30.0 1.0
CB A:SER113 3.6 30.3 1.0
O A:ILE110 3.6 26.2 1.0
C A:ILE110 3.7 25.7 1.0
CB A:ILE110 3.8 25.6 1.0
CA A:ILE110 3.8 26.0 1.0
N A:LYS112 3.9 27.6 1.0
CA A:SER113 4.0 29.9 1.0
CB A:LYS112 4.0 29.4 1.0
CG2 A:ILE110 4.2 24.4 1.0
C A:LYS112 4.2 29.6 1.0
CA A:LYS112 4.2 29.4 1.0
N A:ALA111 4.4 26.2 1.0
C A:ALA111 4.8 26.4 1.0
O A:HOH2177 4.9 39.7 1.0
O A:HOH2014 4.9 39.6 1.0
N A:GLY114 5.0 29.5 1.0

Reference:

S.Y.Sharp, C.Prodromou, K.Boxall, M.V.Powers, J.L.Holmes, G.Box, T.P.Matthews, K.M.Cheung, A.Kalusa, K.James, A.Hayes, A.Hardcastle, B.Dymock, P.A.Brough, X.Barril, J.E.Cansfield, L.Wright, A.Surgenor, N.Foloppe, R.E.Hubbard, W.Aherne, L.Pearl, K.Jones, E.Mcdonald, F.Raynaud, S.Eccles, M.Drysdale, P.Workman. Inhibition of the Heat Shock Protein 90 Molecular Chaperone in Vitro and in Vivo By Novel, Synthetic, Potent Resorcinylic Pyrazole/Isoxazole Amide Analogues. Mol. Cancer Ther. V. 6 1198 2007.
ISSN: ISSN 1535-7163
PubMed: 17431102
DOI: 10.1158/1535-7163.MCT-07-0149
Page generated: Mon Dec 14 07:39:30 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