Atomistry » Fluorine » PDB 6vkc-6w29 » 6vxu
Atomistry »
  Fluorine »
    PDB 6vkc-6w29 »
      6vxu »

Fluorine in PDB 6vxu: Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471

Enzymatic activity of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471

All present enzymatic activity of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471:
2.7.11.1;

Protein crystallography data

The structure of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471, PDB code: 6vxu was solved by C.V.Dos Reis, L.A.Dutra, F.H.Gama, A.Mascarello, H.Azevedo, C.R.Guimaraes, K.B.Massirer, P.Arruda, A.M.Edwards, R.M.Counago, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.771, 96.3, 191.988, 90, 90, 90
R / Rfree (%) 18.4 / 20.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471 (pdb code 6vxu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471, PDB code: 6vxu:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 6vxu

Go back to Fluorine Binding Sites List in 6vxu
Fluorine binding site 1 out of 8 in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:44.0
occ:1.00
 F1 A:RTJ401 0.0 44.0 1.0
C6 A:RTJ401 1.3 45.8 1.0
C1 A:RTJ401 2.3 46.2 1.0
C5 A:RTJ401 2.4 44.9 1.0
O2 A:RTJ401 2.7 42.5 1.0
CB A:MET131 3.2 33.1 1.0
CB A:PRO111 3.3 30.1 1.0
CE A:MET131 3.3 37.7 1.0
OH A:TYR87 3.3 34.3 1.0
CG A:MET131 3.4 35.1 1.0
C4 A:RTJ401 3.6 49.8 1.0
C2 A:RTJ401 3.6 48.7 1.0
CG A:PRO111 3.7 29.8 1.0
CZ A:TYR87 3.8 33.7 1.0
CE2 A:TYR87 4.1 33.6 1.0
C3 A:RTJ401 4.1 49.1 1.0
SD A:MET131 4.1 38.3 1.0
CE2 A:PHE134 4.3 32.7 1.0
CE1 A:TYR87 4.6 34.1 1.0
CA A:MET131 4.6 30.6 1.0
F2 A:RTJ401 4.7 39.2 1.0
O A:ASP132 4.7 31.1 1.0
CA A:PRO111 4.7 31.1 1.0
N A:ASP132 4.7 30.8 1.0
N1 A:RTJ401 4.8 44.8 1.0
CG1 A:VAL196 4.8 33.2 1.0

Fluorine binding site 2 out of 8 in 6vxu

Go back to Fluorine Binding Sites List in 6vxu
Fluorine binding site 2 out of 8 in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:39.2
occ:1.00
 F2 A:RTJ401 0.0 39.2 1.0
C4 A:RTJ401 1.3 49.8 1.0
C3 A:RTJ401 2.3 49.1 1.0
C5 A:RTJ401 2.3 44.9 1.0
O A:HOH501 2.6 50.2 1.0
O2 A:RTJ401 2.7 42.5 1.0
NZ A:LYS71 3.4 45.4 1.0
C20 A:RTJ401 3.5 44.8 1.0
C6 A:RTJ401 3.6 45.8 1.0
C2 A:RTJ401 3.6 48.7 1.0
CD A:LYS71 3.9 41.5 1.0
C18 A:RTJ401 4.0 44.7 1.0
CE A:LYS71 4.1 43.5 1.0
C1 A:RTJ401 4.1 46.2 1.0
CD1 A:ILE51 4.4 37.1 1.0
CB A:VAL196 4.4 32.6 1.0
CG2 A:VAL196 4.6 32.7 1.0
N3 A:RTJ401 4.7 43.6 1.0
C17 A:RTJ401 4.7 41.8 1.0
F1 A:RTJ401 4.7 44.0 1.0
N1 A:RTJ401 4.8 44.8 1.0
N A:ASP197 4.8 33.6 1.0
C19 A:RTJ401 4.9 46.0 1.0
CG A:LYS71 5.0 39.7 1.0
CG1 A:VAL196 5.0 33.2 1.0
OE2 A:GLU83 5.0 34.2 1.0

Fluorine binding site 3 out of 8 in 6vxu

Go back to Fluorine Binding Sites List in 6vxu
Fluorine binding site 3 out of 8 in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:52.5
occ:1.00
 F1 B:RTJ401 0.0 52.5 1.0
C6 B:RTJ401 1.3 59.8 1.0
C1 B:RTJ401 2.3 59.3 1.0
C5 B:RTJ401 2.3 60.3 1.0
O2 B:RTJ401 2.7 45.4 1.0
NZ B:LYS71 3.4 53.1 1.0
C4 B:RTJ401 3.6 67.4 1.0
C2 B:RTJ401 3.6 62.8 1.0
CD1 B:ILE51 3.6 66.0 1.0
CE B:LYS71 3.7 55.2 1.0
C19 B:RTJ401 4.1 59.4 1.0
C3 B:RTJ401 4.1 65.3 1.0
CD B:LYS71 4.2 55.4 1.0
C20 B:RTJ401 4.2 58.6 1.0
CG2 B:VAL196 4.3 40.6 1.0
CB B:VAL196 4.4 40.7 1.0
C17 B:RTJ401 4.5 56.1 1.0
N B:ASP197 4.6 41.3 1.0
N3 B:RTJ401 4.6 56.3 1.0
F2 B:RTJ401 4.7 45.7 1.0
C18 B:RTJ401 4.7 59.5 1.0
N1 B:RTJ401 4.8 59.9 1.0
CG B:LYS71 4.9 57.3 1.0
CG1 B:ILE51 4.9 67.4 1.0
CA B:ASP197 4.9 42.9 1.0
CB B:ASP197 5.0 44.6 1.0

Fluorine binding site 4 out of 8 in 6vxu

Go back to Fluorine Binding Sites List in 6vxu
Fluorine binding site 4 out of 8 in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:45.7
occ:1.00
 F2 B:RTJ401 0.0 45.7 1.0
C4 B:RTJ401 1.4 67.4 1.0
C3 B:RTJ401 2.4 65.3 1.0
C5 B:RTJ401 2.4 60.3 1.0
O2 B:RTJ401 2.7 45.4 1.0
O B:HOH501 3.3 43.7 1.0
CB B:MET131 3.3 47.2 1.0
CG B:MET131 3.5 47.1 1.0
CE B:MET131 3.6 44.3 1.0
C6 B:RTJ401 3.6 59.8 1.0
C2 B:RTJ401 3.6 62.8 1.0
CB B:PRO111 3.7 40.4 1.0
CG B:PRO111 3.8 38.8 1.0
OH B:TYR87 4.1 40.7 1.0
C1 B:RTJ401 4.1 59.3 1.0
CE2 B:PHE134 4.3 42.9 1.0
SD B:MET131 4.3 47.1 1.0
CG1 B:VAL196 4.5 41.1 1.0
O B:ASP132 4.5 48.4 1.0
CB B:VAL196 4.5 40.7 1.0
F1 B:RTJ401 4.7 52.5 1.0
N1 B:RTJ401 4.8 59.9 1.0
CA B:MET131 4.8 48.8 1.0
N B:ASP132 4.9 47.7 1.0
CD B:LYS71 4.9 55.4 1.0
CZ B:TYR87 5.0 40.9 1.0

Fluorine binding site 5 out of 8 in 6vxu

Go back to Fluorine Binding Sites List in 6vxu
Fluorine binding site 5 out of 8 in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F401

b:58.1
occ:1.00
 F1 C:VBD401 0.0 58.1 1.0
C6 C:VBD401 1.4 61.4 1.0
C1 C:VBD401 2.3 61.9 1.0
C5 C:VBD401 2.4 62.0 1.0
O2 C:VBD401 2.7 56.1 1.0
OH C:TYR87 3.0 38.5 1.0
CB C:MET131 3.3 39.6 1.0
CE C:MET131 3.4 49.2 1.0
CG C:MET131 3.4 43.3 1.0
CZ C:TYR87 3.5 37.3 1.0
CB C:PRO111 3.5 31.5 1.0
C4 C:VBD401 3.6 65.9 1.0
C2 C:VBD401 3.6 64.7 1.0
CE2 C:TYR87 3.9 35.5 1.0
CG C:PRO111 3.9 31.0 1.0
SD C:MET131 4.1 48.4 1.0
C3 C:VBD401 4.1 64.7 1.0
CE1 C:TYR87 4.2 37.0 1.0
O C:ASP132 4.5 36.1 1.0
CE2 C:PHE134 4.6 36.4 1.0
CA C:MET131 4.7 37.0 1.0
F2 C:VBD401 4.7 52.3 1.0
N1 C:VBD401 4.8 62.5 1.0
N C:ASP132 4.9 34.6 1.0
CD2 C:TYR87 4.9 35.0 1.0
CG1 C:VAL196 4.9 33.8 1.0
CA C:PRO111 5.0 31.2 1.0

Fluorine binding site 6 out of 8 in 6vxu

Go back to Fluorine Binding Sites List in 6vxu
Fluorine binding site 6 out of 8 in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F401

b:52.3
occ:1.00
 F2 C:VBD401 0.0 52.3 1.0
C4 C:VBD401 1.3 65.9 1.0
C3 C:VBD401 2.3 64.7 1.0
C5 C:VBD401 2.4 62.0 1.0
O2 C:VBD401 2.7 56.1 1.0
C20 C:VBD401 3.1 60.8 1.0
NZ C:LYS71 3.2 45.0 1.0
C6 C:VBD401 3.6 61.4 1.0
C2 C:VBD401 3.6 64.7 1.0
C18 C:VBD401 3.7 59.1 1.0
CB C:VAL196 4.1 33.2 1.0
C1 C:VBD401 4.1 61.9 1.0
CE C:LYS71 4.2 44.3 1.0
CG2 C:VAL196 4.2 33.7 1.0
CD C:LYS71 4.3 44.0 1.0
C19 C:VBD401 4.4 61.7 1.0
N C:ASP197 4.5 34.4 1.0
C17 C:VBD401 4.6 56.5 1.0
N3 C:VBD401 4.6 57.5 1.0
CG1 C:VAL196 4.7 33.8 1.0
F1 C:VBD401 4.7 58.1 1.0
N1 C:VBD401 4.8 62.5 1.0
OE2 C:GLU83 4.8 36.4 1.0
CA C:ASP197 4.9 35.4 1.0

Fluorine binding site 7 out of 8 in 6vxu

Go back to Fluorine Binding Sites List in 6vxu
Fluorine binding site 7 out of 8 in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F401

b:44.4
occ:1.00
 F1 D:RTJ401 0.0 44.4 1.0
C6 D:RTJ401 1.3 50.8 1.0
C1 D:RTJ401 2.3 51.8 1.0
C5 D:RTJ401 2.3 49.6 1.0
O2 D:RTJ401 2.7 38.6 1.0
C20 D:RTJ401 3.2 45.2 1.0
NZ D:LYS71 3.2 43.1 1.0
CE D:LYS71 3.6 44.6 1.0
C4 D:RTJ401 3.6 51.0 1.0
C2 D:RTJ401 3.6 48.6 1.0
C18 D:RTJ401 3.6 45.3 1.0
CD1 D:ILE51 3.8 56.9 1.0
CD D:LYS71 4.0 44.8 1.0
CG2 D:VAL196 4.0 33.5 1.0
C3 D:RTJ401 4.1 50.0 1.0
O D:HOH534 4.1 56.2 1.0
CB D:VAL196 4.3 33.0 1.0
C19 D:RTJ401 4.3 45.9 1.0
N3 D:RTJ401 4.6 43.5 1.0
C17 D:RTJ401 4.6 42.9 1.0
F2 D:RTJ401 4.7 37.1 1.0
CG D:LYS71 4.7 45.9 1.0
N1 D:RTJ401 4.7 47.7 1.0
N D:ASP197 4.8 32.9 1.0

Fluorine binding site 8 out of 8 in 6vxu

Go back to Fluorine Binding Sites List in 6vxu
Fluorine binding site 8 out of 8 in the Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F401

b:37.1
occ:1.00
 F2 D:RTJ401 0.0 37.1 1.0
C4 D:RTJ401 1.3 51.0 1.0
C3 D:RTJ401 2.3 50.0 1.0
C5 D:RTJ401 2.3 49.6 1.0
O2 D:RTJ401 2.7 38.6 1.0
O D:HOH514 3.3 38.0 1.0
CE D:MET131 3.4 33.6 1.0
CB D:MET131 3.4 36.1 1.0
CG D:PRO111 3.6 30.2 1.0
C6 D:RTJ401 3.6 50.8 1.0
C2 D:RTJ401 3.6 48.6 1.0
CG D:MET131 3.6 36.0 1.0
CB D:PRO111 3.6 31.6 1.0
OH D:TYR87 3.9 31.7 1.0
C1 D:RTJ401 4.1 51.8 1.0
CG1 D:VAL196 4.2 33.6 1.0
CE2 D:PHE134 4.2 36.0 1.0
SD D:MET131 4.3 35.2 1.0
CB D:VAL196 4.4 33.0 1.0
O D:ASP132 4.7 37.9 1.0
F1 D:RTJ401 4.7 44.4 1.0
N1 D:RTJ401 4.7 47.7 1.0
CZ D:TYR87 4.8 31.9 1.0
CA D:MET131 4.9 37.3 1.0
CD D:PRO111 4.9 29.5 1.0
CD D:LYS71 4.9 44.8 1.0

Reference:

C.R.Guimaraes, R.M.Counago. Structure of Human Vaccinia-Related Kinase 1 (VRK1) Bound to ACH471 To Be Published.
Page generated: Tue Jul 15 16:53:03 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy