Atomistry » Sodium » PDB 4r3w-4rmj » 4ra5
Atomistry »
  Sodium »
    PDB 4r3w-4rmj »
      4ra5 »

Sodium in PDB 4ra5: Human Protein Kinase C Theta in Complex with Ligand Compound 11A (6- [(1,3-Dimethyl-Azetidin-3-Yl)-Methyl-Amino]-4(R)-Methyl-7-Phenyl-2, 10-Dihydro-9-Oxa-1,2,4A-Triaza-Phenanthren-3-One)

Enzymatic activity of Human Protein Kinase C Theta in Complex with Ligand Compound 11A (6- [(1,3-Dimethyl-Azetidin-3-Yl)-Methyl-Amino]-4(R)-Methyl-7-Phenyl-2, 10-Dihydro-9-Oxa-1,2,4A-Triaza-Phenanthren-3-One)

All present enzymatic activity of Human Protein Kinase C Theta in Complex with Ligand Compound 11A (6- [(1,3-Dimethyl-Azetidin-3-Yl)-Methyl-Amino]-4(R)-Methyl-7-Phenyl-2, 10-Dihydro-9-Oxa-1,2,4A-Triaza-Phenanthren-3-One):
2.7.11.13;

Protein crystallography data

The structure of Human Protein Kinase C Theta in Complex with Ligand Compound 11A (6- [(1,3-Dimethyl-Azetidin-3-Yl)-Methyl-Amino]-4(R)-Methyl-7-Phenyl-2, 10-Dihydro-9-Oxa-1,2,4A-Triaza-Phenanthren-3-One), PDB code: 4ra5 was solved by M.A.Argiriadi, D.M.George, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 73.77 / 2.61
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.822, 77.026, 147.547, 90.00, 90.00, 90.00
R / Rfree (%) 22.8 / 27.7

Sodium Binding Sites:

The binding sites of Sodium atom in the Human Protein Kinase C Theta in Complex with Ligand Compound 11A (6- [(1,3-Dimethyl-Azetidin-3-Yl)-Methyl-Amino]-4(R)-Methyl-7-Phenyl-2, 10-Dihydro-9-Oxa-1,2,4A-Triaza-Phenanthren-3-One) (pdb code 4ra5). 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 Human Protein Kinase C Theta in Complex with Ligand Compound 11A (6- [(1,3-Dimethyl-Azetidin-3-Yl)-Methyl-Amino]-4(R)-Methyl-7-Phenyl-2, 10-Dihydro-9-Oxa-1,2,4A-Triaza-Phenanthren-3-One), PDB code: 4ra5:

Sodium binding site 1 out of 1 in 4ra5

Go back to Sodium Binding Sites List in 4ra5
Sodium binding site 1 out of 1 in the Human Protein Kinase C Theta in Complex with Ligand Compound 11A (6- [(1,3-Dimethyl-Azetidin-3-Yl)-Methyl-Amino]-4(R)-Methyl-7-Phenyl-2, 10-Dihydro-9-Oxa-1,2,4A-Triaza-Phenanthren-3-One)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human Protein Kinase C Theta in Complex with Ligand Compound 11A (6- [(1,3-Dimethyl-Azetidin-3-Yl)-Methyl-Amino]-4(R)-Methyl-7-Phenyl-2, 10-Dihydro-9-Oxa-1,2,4A-Triaza-Phenanthren-3-One) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na802

b:59.5
occ:1.00
 O A:HOH916 2.4 41.1 1.0
O A:HOH915 2.4 46.5 1.0
OD2 A:ASP594 2.9 58.6 1.0
OE2 A:GLU586 3.9 59.6 1.0
CG A:ASP594 4.0 59.5 1.0
O A:HIS580 4.2 49.2 1.0
CB A:SER590 4.2 46.0 1.0
OG A:SER590 4.3 43.6 1.0
CG A:GLU586 4.3 54.4 1.0
OD1 A:ASP594 4.4 64.2 1.0
CD A:GLU586 4.7 56.1 1.0
O A:GLU586 4.7 49.4 1.0
CA A:SER590 4.8 46.3 1.0
ND1 A:HIS589 4.9 53.1 1.0

Reference:

D.M.George, E.C.Breinlinger, M.A.Argiriadi, Y.Zhang, J.Wang, P.Bansal-Pakala, D.B.Duignan, P.Honore, Q.Lang, S.Mittelstadt, L.Rundell, A.Schwartz, J.Sun, J.J.Edmunds. Optimized Protein Kinase C Theta (Pkc Theta ) Inhibitors Reveal Only Modest Anti-Inflammatory Efficacy in A Rodent Model of Arthritis. J.Med.Chem. 2014.
ISSN: ISSN 0022-2623
PubMed: 25254961
DOI: 10.1021/JM5013006
Page generated: Mon Oct 7 18:14:07 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy