Atomistry » Chlorine » PDB 3zh8-3zoj » 3zh8
Atomistry »
  Chlorine »
    PDB 3zh8-3zoj »
      3zh8 »

Chlorine in PDB 3zh8: A Novel Small Molecule Apkc Inhibitor

Enzymatic activity of A Novel Small Molecule Apkc Inhibitor

All present enzymatic activity of A Novel Small Molecule Apkc Inhibitor:
2.7.11.13;

Protein crystallography data

The structure of A Novel Small Molecule Apkc Inhibitor, PDB code: 3zh8 was solved by S.Kjaer, A.G.Purkiss, B.Kostelecky, P.P.Knowles, E.Soriano, J.Murray-Rust, N.Q.Mcdonald, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.23 / 2.74
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 113.580, 113.580, 82.410, 90.00, 90.00, 120.00
R / Rfree (%) 21 / 25.7

Other elements in 3zh8:

The structure of A Novel Small Molecule Apkc Inhibitor also contains other interesting chemical elements:

Iodine (I) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the A Novel Small Molecule Apkc Inhibitor (pdb code 3zh8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the A Novel Small Molecule Apkc Inhibitor, PDB code: 3zh8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3zh8

Go back to Chlorine Binding Sites List in 3zh8
Chlorine binding site 1 out of 3 in the A Novel Small Molecule Apkc Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Novel Small Molecule Apkc Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl912

b:48.0
occ:1.00
N A:ILE470 3.6 45.2 1.0
NZ A:LYS485 3.8 43.5 1.0
CE A:LYS490 3.9 40.0 1.0
CA A:GLN469 4.1 51.2 1.0
C A:GLN469 4.4 47.2 1.0
CG A:GLN469 4.4 53.1 1.0
CB A:ILE470 4.4 39.3 1.0
NZ A:LYS490 4.4 42.2 1.0
CD A:LYS490 4.5 40.2 1.0
CA A:ILE470 4.5 41.7 1.0
CG1 A:ILE470 4.6 37.9 1.0
CB A:GLN469 4.6 52.6 1.0
CG A:LYS490 4.6 40.3 1.0
O A:ILE470 4.8 40.8 1.0
O A:LYS468 4.8 57.1 1.0
CD1 A:ILE470 4.9 37.1 1.0
CE A:LYS485 5.0 42.7 1.0

Chlorine binding site 2 out of 3 in 3zh8

Go back to Chlorine Binding Sites List in 3zh8
Chlorine binding site 2 out of 3 in the A Novel Small Molecule Apkc Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A Novel Small Molecule Apkc Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl912

b:58.2
occ:1.00
N B:ILE470 3.6 36.5 1.0
CE B:LYS490 3.7 28.3 1.0
CA B:GLN469 3.9 40.1 1.0
NZ B:LYS490 4.2 39.4 1.0
CD B:LYS490 4.2 29.6 1.0
CG B:GLN469 4.3 38.7 1.0
C B:GLN469 4.3 37.9 1.0
CE B:LYS485 4.4 43.6 1.0
CG B:LYS490 4.5 32.8 1.0
CB B:ILE470 4.5 36.5 1.0
CB B:GLN469 4.5 39.2 1.0
CA B:ILE470 4.6 35.8 1.0
CG1 B:ILE470 4.7 36.0 1.0
O B:LYS468 4.7 46.0 1.0
O B:ILE470 4.8 35.4 1.0
NZ B:LYS485 4.8 47.1 1.0
N B:GLN469 5.0 43.8 1.0

Chlorine binding site 3 out of 3 in 3zh8

Go back to Chlorine Binding Sites List in 3zh8
Chlorine binding site 3 out of 3 in the A Novel Small Molecule Apkc Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of A Novel Small Molecule Apkc Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl912

b:57.7
occ:1.00
O C:HOH2017 3.0 41.7 1.0
N C:ILE470 3.7 63.0 1.0
NZ C:LYS485 3.9 55.2 1.0
CA C:GLN469 4.2 69.6 1.0
CB C:ILE470 4.4 58.8 1.0
C C:GLN469 4.5 67.2 1.0
CG1 C:ILE470 4.5 58.4 1.0
CG C:GLN469 4.6 69.7 1.0
CA C:ILE470 4.6 60.8 1.0
CG C:LYS490 4.8 48.5 1.0
O C:ILE470 4.8 59.5 1.0
CB C:GLN469 4.8 71.3 1.0
O C:LYS468 4.9 71.3 1.0
O C:LEU488 5.0 53.7 1.0

Reference:

S.Kjaer, M.Linch, A.Purkiss, B.Kostelecky, P.P.Knowles, C.Rosse, P.Riou, C.Soudy, S.Kaye, B.Patel, E.Soriano, J.Murray-Rust, C.Barton, C.Dillon, J.Roffey, P.J.Parker, N.Q.Mcdonald. Adenosine-Binding Motif Mimicry and Cellular Effects of A Thieno[2,3-D]Pyrimidine-Based Chemical Inhibitor of Atypical Protein Kinase C Isozymes. Biochem.J. V. 451 329 2013.
ISSN: ISSN 0264-6021
PubMed: 23418854
DOI: 10.1042/BJ20121871
Page generated: Sat Dec 12 10:21:03 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy