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Sodium in PDB 5kj2: The Novel P300/Cbp Inhibitor A-485 Uncovers A Unique Mechanism of Action to Target Ar in Castrate Resistant Prostate Cancer

Enzymatic activity of The Novel P300/Cbp Inhibitor A-485 Uncovers A Unique Mechanism of Action to Target Ar in Castrate Resistant Prostate Cancer

All present enzymatic activity of The Novel P300/Cbp Inhibitor A-485 Uncovers A Unique Mechanism of Action to Target Ar in Castrate Resistant Prostate Cancer:
2.3.1.48;

Protein crystallography data

The structure of The Novel P300/Cbp Inhibitor A-485 Uncovers A Unique Mechanism of Action to Target Ar in Castrate Resistant Prostate Cancer, PDB code: 5kj2 was solved by C.G.Jakob, W.Qiu, R.P.Edalji, C.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.39 / 1.95
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 45.192, 102.944, 168.438, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 26

Other elements in 5kj2:

The structure of The Novel P300/Cbp Inhibitor A-485 Uncovers A Unique Mechanism of Action to Target Ar in Castrate Resistant Prostate Cancer also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the The Novel P300/Cbp Inhibitor A-485 Uncovers A Unique Mechanism of Action to Target Ar in Castrate Resistant Prostate Cancer (pdb code 5kj2). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the The Novel P300/Cbp Inhibitor A-485 Uncovers A Unique Mechanism of Action to Target Ar in Castrate Resistant Prostate Cancer, PDB code: 5kj2:

Sodium binding site 1 out of 1 in 5kj2

Go back to Sodium Binding Sites List in 5kj2
Sodium binding site 1 out of 1 in the The Novel P300/Cbp Inhibitor A-485 Uncovers A Unique Mechanism of Action to Target Ar in Castrate Resistant Prostate Cancer


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Novel P300/Cbp Inhibitor A-485 Uncovers A Unique Mechanism of Action to Target Ar in Castrate Resistant Prostate Cancer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1702

b:24.3
occ:1.00
 O A:HOH1888 3.2 41.2 1.0
O A:HOH1960 3.4 23.6 1.0
N A:LEU1398 3.4 25.1 1.0
O A:HOH1811 3.5 33.0 1.0
CE1 A:TYR1446 3.6 58.1 1.0
CA A:TYR1397 3.6 25.0 1.0
O A:LEU1398 3.9 28.4 1.0
CD1 A:TYR1446 3.9 56.8 1.0
C A:TYR1397 4.0 25.1 1.0
CB A:LEU1398 4.1 26.4 1.0
O A:HOH1812 4.3 31.1 1.0
CA A:LEU1398 4.3 25.6 1.0
O A:SER1396 4.4 22.9 1.0
CB A:TYR1397 4.4 28.0 1.0
O A:CYS1438 4.5 48.5 1.0
C A:LEU1398 4.6 28.0 1.0
O A:HOH1878 4.6 28.4 1.0
N A:TYR1397 4.6 24.0 1.0
CZ A:TYR1446 4.6 65.4 1.0
O A:TRP1436 4.7 27.2 1.0
CD1 A:TYR1397 4.7 36.8 1.0
C A:SER1396 4.9 23.8 1.0
CG A:TYR1397 4.9 33.2 1.0
OH A:TYR1446 5.0 65.0 1.0

Reference:

L.M.Lasko, C.G.Jakob, R.P.Edalji, W.Qiu, D.Montgomery, E.L.Digiammarino, T.M.Hansen, R.M.Risi, R.Frey, V.Manaves, B.Shaw, M.Algire, P.Hessler, L.T.Lam, T.Uziel, E.Faivre, D.Ferguson, F.G.Buchanan, R.L.Martin, M.Torrent, G.G.Chiang, K.Karukurichi, J.W.Langston, B.T.Weinert, C.Choudhary, P.De Vries, J.H.Van Drie, D.Mcelligott, E.Kesicki, R.Marmorstein, C.Sun, P.A.Cole, S.H.Rosenberg, M.R.Michaelides, A.Lai, K.D.Bromberg. Discovery of A Selective Catalytic P300/Cbp Inhibitor That Targets Lineage-Specific Tumours. Nature V. 550 128 2017.
ISSN: ESSN 1476-4687
PubMed: 28953875
DOI: 10.1038/NATURE24028
Page generated: Mon Oct 7 22:05:28 2024

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