Atomistry » Fluorine » PDB 6cr2-6d27 » 6csw
Atomistry »
  Fluorine »
    PDB 6cr2-6d27 »
      6csw »

Fluorine in PDB 6csw: Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor

Enzymatic activity of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor

All present enzymatic activity of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor, PDB code: 6csw was solved by C.V.Dos Reis, G.P.De Souza, R.M.Counago, C.G.Chiodi, A.Azevedo, C.Guimaraes, A.Mascarello, F.Gama, M.Ferreira, K.B.Massirer, P.Arruda, A.M.Edwards, J.M.Elkins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.80 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.830, 96.987, 191.670, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 23.3

Other elements in 6csw:

The structure of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor (pdb code 6csw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor, PDB code: 6csw:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 6csw

Go back to Fluorine Binding Sites List in 6csw
Fluorine binding site 1 out of 4 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:49.4
occ:1.00
 F1 B:FBY401 0.0 49.4 1.0
C4 B:FBY401 1.3 49.0 1.0
C3 B:FBY401 2.3 47.6 1.0
C5 B:FBY401 2.4 49.5 1.0
O1 B:FBY401 2.7 44.4 1.0
NZ B:LYS71 3.0 50.3 1.0
C3 B:GOL408 3.0 70.7 1.0
CE B:LYS71 3.3 53.3 1.0
C2 B:FBY401 3.6 47.0 1.0
C6 B:FBY401 3.6 49.1 1.0
C1 B:GOL408 3.7 68.3 1.0
CG2 B:VAL196 3.9 37.5 1.0
C2 B:GOL408 4.0 69.1 1.0
CD1 B:ILE51 4.0 63.1 1.0
O3 B:GOL408 4.0 74.0 1.0
C1 B:FBY401 4.1 47.7 1.0
CB B:VAL196 4.2 37.6 1.0
N B:ASP197 4.3 36.2 1.0
CD B:LYS71 4.4 55.0 1.0
CB B:ASP197 4.6 37.2 1.0
CA B:ASP197 4.7 36.6 1.0
F2 B:FBY401 4.7 46.3 1.0
O2 B:GOL408 4.7 66.7 1.0
N1 B:FBY401 4.8 50.7 1.0
N3 B:FBY401 4.9 54.7 1.0

Fluorine binding site 2 out of 4 in 6csw

Go back to Fluorine Binding Sites List in 6csw
Fluorine binding site 2 out of 4 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:46.3
occ:1.00
 F2 B:FBY401 0.0 46.3 1.0
C2 B:FBY401 1.4 47.0 1.0
C1 B:FBY401 2.3 47.7 1.0
C3 B:FBY401 2.4 47.6 1.0
O1 B:FBY401 2.8 44.4 1.0
O B:HOH505 3.1 38.7 1.0
CB B:MET131 3.3 49.1 1.0
CG B:MET131 3.4 48.0 1.0
CE B:MET131 3.6 43.6 1.0
C4 B:FBY401 3.6 49.0 1.0
C6 B:FBY401 3.6 49.1 1.0
CB B:PRO111 3.6 38.5 1.0
CG B:PRO111 3.8 36.1 1.0
OH B:TYR87 4.1 37.7 1.0
C5 B:FBY401 4.1 49.5 1.0
SD B:MET131 4.3 46.6 1.0
CE2 B:PHE134 4.4 44.2 1.0
CG1 B:VAL196 4.4 38.3 1.0
CB B:VAL196 4.5 37.6 1.0
F1 B:FBY401 4.7 49.4 1.0
N1 B:FBY401 4.7 50.7 1.0
O B:ASP132 4.7 51.6 1.0
CA B:MET131 4.8 52.2 1.0
CD B:LYS71 4.8 55.0 1.0
NZ B:LYS71 4.9 50.3 1.0
CZ B:TYR87 5.0 38.5 1.0
N B:ASP132 5.0 51.6 1.0

Fluorine binding site 3 out of 4 in 6csw

Go back to Fluorine Binding Sites List in 6csw
Fluorine binding site 3 out of 4 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F401

b:30.0
occ:1.00
 F1 D:FBY401 0.0 30.0 1.0
C4 D:FBY401 1.4 29.4 1.0
C3 D:FBY401 2.4 28.5 1.0
C5 D:FBY401 2.4 29.6 1.0
O1 D:FBY401 2.7 27.7 1.0
O3 D:SO4406 3.0 90.2 1.0
NZ D:LYS71 3.4 38.5 1.0
CE D:LYS71 3.4 40.9 1.0
O4 D:SO4406 3.4 82.5 1.0
C2 D:FBY401 3.6 28.3 1.0
C6 D:FBY401 3.6 30.2 1.0
S D:SO4406 3.8 89.9 1.0
CG2 D:VAL196 3.8 28.3 1.0
CD1 D:ILE51 3.9 54.0 1.0
C1 D:FBY401 4.1 28.6 1.0
CB D:VAL196 4.1 28.1 1.0
CD D:LYS71 4.2 42.3 1.0
N D:ASP197 4.3 27.5 1.0
O2 D:SO4406 4.4 90.0 1.0
CB D:ASP197 4.4 28.7 1.0
CA D:ASP197 4.6 27.9 1.0
F2 D:FBY401 4.7 27.7 1.0
N1 D:FBY401 4.8 31.9 1.0
N3 D:FBY401 4.8 35.7 1.0
CG1 D:VAL196 5.0 28.8 1.0

Fluorine binding site 4 out of 4 in 6csw

Go back to Fluorine Binding Sites List in 6csw
Fluorine binding site 4 out of 4 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Methyl-N-Propyl-Dihydropteridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F401

b:27.7
occ:1.00
 F2 D:FBY401 0.0 27.7 1.0
C2 D:FBY401 1.4 28.3 1.0
C1 D:FBY401 2.4 28.6 1.0
C3 D:FBY401 2.4 28.5 1.0
O1 D:FBY401 2.7 27.7 1.0
O D:HOH513 3.1 33.4 1.0
CB D:MET131 3.4 39.8 1.0
CE D:MET131 3.5 36.1 1.0
CG D:MET131 3.5 39.4 1.0
C4 D:FBY401 3.6 29.4 1.0
C6 D:FBY401 3.6 30.2 1.0
CB D:PRO111 3.6 29.1 1.0
CG D:PRO111 3.6 27.3 1.0
OH D:TYR87 4.1 26.3 1.0
C5 D:FBY401 4.1 29.6 1.0
SD D:MET131 4.3 38.4 1.0
CG1 D:VAL196 4.3 28.8 1.0
CB D:VAL196 4.3 28.1 1.0
CE2 D:PHE134 4.4 34.7 1.0
F1 D:FBY401 4.7 30.0 1.0
N1 D:FBY401 4.8 31.9 1.0
O D:ASP132 4.8 40.0 1.0
CA D:MET131 4.8 41.9 1.0
CD D:LYS71 4.8 42.3 1.0
CA D:VAL196 4.9 26.5 1.0
NZ D:LYS71 4.9 38.5 1.0
CZ D:TYR87 5.0 27.3 1.0

Reference:

C.V.Dos Reis, G.P.De Souza, R.M.Counago, H.Azevedo, C.Guimaraes, A.Mascarello, F.Gama, M.Ferreira, K.B.Massirer, P.Arruda, A.M.Edwards, J.M.Elkins, Structural Genomics Consortium (Sgc). Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N-Methyl-N-Propyl-Dihydropteridine Inhibitor To Be Published.
Page generated: Thu Aug 1 18:40:25 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy