Atomistry » Fluorine » PDB 5aik-5avy » 5aik
Atomistry »
  Fluorine »
    PDB 5aik-5avy »
      5aik »

Fluorine in PDB 5aik: Human DYRK1A in Complex with Ldn-211898

Enzymatic activity of Human DYRK1A in Complex with Ldn-211898

All present enzymatic activity of Human DYRK1A in Complex with Ldn-211898:
2.7.11.1;

Protein crystallography data

The structure of Human DYRK1A in Complex with Ldn-211898, PDB code: 5aik was solved by J.M.Elkins, M.Soundararajan, J.R.C.Muniz, G.Cuny, J.Higgins, A.Edwards, C.Bountra, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 116.23 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 89.955, 90.891, 232.468, 90.00, 90.00, 90.00
R / Rfree (%) 22.681 / 25.222

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Human DYRK1A in Complex with Ldn-211898 (pdb code 5aik). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Human DYRK1A in Complex with Ldn-211898, PDB code: 5aik:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 5aik

Go back to Fluorine Binding Sites List in 5aik
Fluorine binding site 1 out of 12 in the Human DYRK1A in Complex with Ldn-211898


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human DYRK1A in Complex with Ldn-211898 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F900

b:36.3
occ:1.00
 FAC A:AWR900 0.0 36.3 1.0
CAX A:AWR900 1.3 36.9 1.0
FAD A:AWR900 2.1 37.6 1.0
FAE A:AWR900 2.1 38.0 1.0
CAR A:AWR900 2.3 36.8 1.0
CAV A:AWR900 3.1 36.5 1.0
CAN A:AWR900 3.1 41.6 1.0
NAO A:AWR900 3.3 36.3 1.0
NAW A:AWR900 3.4 37.4 1.0
CAM A:AWR900 3.4 47.4 1.0
CB A:ASP307 4.1 25.2 1.0
OD2 A:ASP307 4.4 26.2 1.0
CAT A:AWR900 4.4 35.4 1.0
NAB A:AWR900 4.4 60.3 1.0
CG A:ASP307 4.4 25.9 1.0
CAF A:AWR900 4.4 35.7 1.0
CG2 A:VAL306 4.6 23.2 1.0
CE2 A:PHE170 4.6 29.7 1.0
OD1 A:ASN292 4.6 22.4 1.0
CAL A:AWR900 4.7 52.8 1.0
CAU A:AWR900 4.7 34.9 1.0
CAK A:AWR900 4.8 57.0 1.0
CAH A:AWR900 4.9 36.5 1.0
CZ A:PHE170 5.0 29.6 1.0

Fluorine binding site 2 out of 12 in 5aik

Go back to Fluorine Binding Sites List in 5aik
Fluorine binding site 2 out of 12 in the Human DYRK1A in Complex with Ldn-211898


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human DYRK1A in Complex with Ldn-211898 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F900

b:37.6
occ:1.00
 FAD A:AWR900 0.0 37.6 1.0
CAX A:AWR900 1.3 36.9 1.0
FAC A:AWR900 2.1 36.3 1.0
FAE A:AWR900 2.1 38.0 1.0
CAR A:AWR900 2.3 36.8 1.0
CAN A:AWR900 3.0 41.6 1.0
CAV A:AWR900 3.1 36.5 1.0
CZ A:PHE170 3.2 29.6 1.0
CE2 A:PHE170 3.3 29.7 1.0
NAO A:AWR900 3.3 36.3 1.0
NAW A:AWR900 3.3 37.4 1.0
CG2 A:VAL173 3.3 25.3 1.0
CAM A:AWR900 4.0 47.4 1.0
CE A:LYS188 4.3 24.6 1.0
CE1 A:PHE170 4.3 29.1 1.0
CAT A:AWR900 4.4 35.4 1.0
NAB A:AWR900 4.4 60.3 1.0
CD2 A:PHE170 4.5 29.7 1.0
CAF A:AWR900 4.5 35.7 1.0
NZ A:LYS188 4.7 24.4 1.0
CAU A:AWR900 4.7 34.9 1.0
CD A:LYS188 4.7 24.6 1.0
CB A:VAL173 4.7 26.0 1.0
CG A:LYS188 4.9 25.1 1.0
CAH A:AWR900 5.0 36.5 1.0

Fluorine binding site 3 out of 12 in 5aik

Go back to Fluorine Binding Sites List in 5aik
Fluorine binding site 3 out of 12 in the Human DYRK1A in Complex with Ldn-211898


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human DYRK1A in Complex with Ldn-211898 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F900

b:38.0
occ:1.00
 FAE A:AWR900 0.0 38.0 1.0
CAX A:AWR900 1.3 36.9 1.0
FAD A:AWR900 2.1 37.6 1.0
FAC A:AWR900 2.1 36.3 1.0
CAR A:AWR900 2.3 36.8 1.0
NAO A:AWR900 2.5 36.3 1.0
NZ A:LYS188 3.3 24.4 1.0
CE2 A:PHE170 3.4 29.7 1.0
CG A:ASP307 3.5 25.9 1.0
CE A:LYS188 3.6 24.6 1.0
OD2 A:ASP307 3.6 26.2 1.0
CAV A:AWR900 3.7 36.5 1.0
CB A:ASP307 3.7 25.2 1.0
CZ A:PHE170 3.8 29.6 1.0
OD1 A:ASP307 3.8 26.7 1.0
CAF A:AWR900 3.9 35.7 1.0
CD2 A:PHE170 4.0 29.7 1.0
CD A:LYS188 4.4 24.6 1.0
NAW A:AWR900 4.6 37.4 1.0
CAN A:AWR900 4.6 41.6 1.0
CA A:ASP307 4.6 25.0 1.0
CE1 A:PHE170 4.7 29.1 1.0
CAT A:AWR900 4.8 35.4 1.0
CAH A:AWR900 4.9 36.5 1.0
CG A:PHE170 4.9 30.1 1.0

Fluorine binding site 4 out of 12 in 5aik

Go back to Fluorine Binding Sites List in 5aik
Fluorine binding site 4 out of 12 in the Human DYRK1A in Complex with Ldn-211898


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human DYRK1A in Complex with Ldn-211898 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F900

b:37.3
occ:1.00
 FAC B:AWR900 0.0 37.3 1.0
CAX B:AWR900 1.3 38.4 1.0
FAE B:AWR900 2.1 38.6 1.0
FAD B:AWR900 2.1 40.3 1.0
CAR B:AWR900 2.3 38.0 1.0
CAN B:AWR900 2.9 42.8 1.0
CAV B:AWR900 3.0 38.2 1.0
CAM B:AWR900 3.1 47.0 1.0
NAW B:AWR900 3.2 38.9 1.0
NAO B:AWR900 3.3 36.8 1.0
CAK B:AWR900 3.9 55.1 1.0
CAL B:AWR900 4.0 51.7 1.0
CB B:ASP307 4.1 27.6 1.0
CAT B:AWR900 4.3 36.7 1.0
CAF B:AWR900 4.5 35.7 1.0
CG B:ASP307 4.5 28.0 1.0
OD2 B:ASP307 4.5 28.3 1.0
CG2 B:VAL306 4.5 29.2 1.0
CAU B:AWR900 4.5 37.1 1.0
CE2 B:PHE170 4.7 31.1 1.0
OD1 B:ASN292 4.8 28.2 1.0
CAH B:AWR900 4.9 35.7 1.0

Fluorine binding site 5 out of 12 in 5aik

Go back to Fluorine Binding Sites List in 5aik
Fluorine binding site 5 out of 12 in the Human DYRK1A in Complex with Ldn-211898


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human DYRK1A in Complex with Ldn-211898 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F900

b:40.3
occ:1.00
 FAD B:AWR900 0.0 40.3 1.0
CAX B:AWR900 1.3 38.4 1.0
FAC B:AWR900 2.1 37.3 1.0
FAE B:AWR900 2.1 38.6 1.0
CAR B:AWR900 2.3 38.0 1.0
CAN B:AWR900 3.0 42.8 1.0
CAV B:AWR900 3.1 38.2 1.0
CZ B:PHE170 3.1 31.1 1.0
CE2 B:PHE170 3.2 31.1 1.0
NAO B:AWR900 3.3 36.8 1.0
NAW B:AWR900 3.3 38.9 1.0
CG2 B:VAL173 3.5 30.8 1.0
CAM B:AWR900 4.0 47.0 1.0
CAK B:AWR900 4.0 55.1 1.0
CE B:LYS188 4.0 24.8 1.0
CE1 B:PHE170 4.2 30.2 1.0
CAT B:AWR900 4.4 36.7 1.0
NZ B:LYS188 4.4 24.9 1.0
CD2 B:PHE170 4.4 30.7 1.0
CD B:LYS188 4.4 25.0 1.0
CAF B:AWR900 4.4 35.7 1.0
CAL B:AWR900 4.6 51.7 1.0
CAU B:AWR900 4.7 37.1 1.0
CG B:LYS188 4.7 25.6 1.0
CB B:VAL173 4.9 32.0 1.0
CAH B:AWR900 4.9 35.7 1.0

Fluorine binding site 6 out of 12 in 5aik

Go back to Fluorine Binding Sites List in 5aik
Fluorine binding site 6 out of 12 in the Human DYRK1A in Complex with Ldn-211898


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human DYRK1A in Complex with Ldn-211898 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F900

b:38.6
occ:1.00
 FAE B:AWR900 0.0 38.6 1.0
CAX B:AWR900 1.3 38.4 1.0
FAC B:AWR900 2.1 37.3 1.0
FAD B:AWR900 2.1 40.3 1.0
CAR B:AWR900 2.3 38.0 1.0
NAO B:AWR900 2.6 36.8 1.0
CG B:ASP307 3.2 28.0 1.0
NZ B:LYS188 3.3 24.9 1.0
OD2 B:ASP307 3.4 28.3 1.0
CB B:ASP307 3.5 27.6 1.0
OD1 B:ASP307 3.6 29.0 1.0
CE2 B:PHE170 3.6 31.1 1.0
CAV B:AWR900 3.7 38.2 1.0
CE B:LYS188 3.7 24.8 1.0
CAF B:AWR900 3.9 35.7 1.0
CZ B:PHE170 4.1 31.1 1.0
CD2 B:PHE170 4.2 30.7 1.0
CA B:ASP307 4.3 27.5 1.0
NAW B:AWR900 4.5 38.9 1.0
CAN B:AWR900 4.5 42.8 1.0
CD B:LYS188 4.6 25.0 1.0
CAT B:AWR900 4.8 36.7 1.0
CAH B:AWR900 4.9 35.7 1.0
N B:ASP307 4.9 28.0 1.0
CE1 B:PHE170 5.0 30.2 1.0

Fluorine binding site 7 out of 12 in 5aik

Go back to Fluorine Binding Sites List in 5aik
Fluorine binding site 7 out of 12 in the Human DYRK1A in Complex with Ldn-211898


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Human DYRK1A in Complex with Ldn-211898 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F900

b:31.9
occ:1.00
 FAC C:AWR900 0.0 31.9 1.0
CAX C:AWR900 1.3 30.9 1.0
FAD C:AWR900 2.1 32.6 1.0
FAE C:AWR900 2.1 32.6 1.0
CAR C:AWR900 2.3 28.6 1.0
CAM C:AWR900 2.9 35.4 1.0
CAN C:AWR900 2.9 32.3 1.0
CAV C:AWR900 3.0 27.9 1.0
CAK C:AWR900 3.2 39.8 1.0
NAW C:AWR900 3.2 29.1 1.0
NAO C:AWR900 3.3 27.1 1.0
CAL C:AWR900 3.6 38.4 1.0
NAB C:AWR900 4.0 38.7 1.0
CB C:ASP307 4.2 25.9 1.0
CAT C:AWR900 4.3 27.6 1.0
CG2 C:VAL306 4.5 26.7 1.0
CAF C:AWR900 4.5 27.1 1.0
CAU C:AWR900 4.6 27.4 1.0
CG C:ASP307 4.6 26.3 1.0
OD2 C:ASP307 4.6 26.9 1.0
CE2 C:PHE170 4.7 26.1 1.0
OD1 C:ASN292 4.8 27.9 1.0
CAH C:AWR900 4.9 27.6 1.0

Fluorine binding site 8 out of 12 in 5aik

Go back to Fluorine Binding Sites List in 5aik
Fluorine binding site 8 out of 12 in the Human DYRK1A in Complex with Ldn-211898


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Human DYRK1A in Complex with Ldn-211898 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F900

b:32.6
occ:1.00
 FAD C:AWR900 0.0 32.6 1.0
CAX C:AWR900 1.3 30.9 1.0
FAC C:AWR900 2.1 31.9 1.0
FAE C:AWR900 2.1 32.6 1.0
CAR C:AWR900 2.3 28.6 1.0
CZ C:PHE170 3.1 24.8 1.0
CE2 C:PHE170 3.1 26.1 1.0
CAV C:AWR900 3.2 27.9 1.0
NAO C:AWR900 3.2 27.1 1.0
CAN C:AWR900 3.2 32.3 1.0
NAW C:AWR900 3.5 29.1 1.0
CG2 C:VAL173 3.5 20.5 1.0
CE C:LYS188 4.0 20.7 1.0
CAM C:AWR900 4.0 35.4 1.0
NAB C:AWR900 4.1 38.7 1.0
CAK C:AWR900 4.1 39.8 1.0
CE1 C:PHE170 4.2 24.2 1.0
CD2 C:PHE170 4.3 26.6 1.0
NZ C:LYS188 4.4 21.3 1.0
CAF C:AWR900 4.4 27.1 1.0
CAT C:AWR900 4.4 27.6 1.0
CD C:LYS188 4.5 19.9 1.0
CAL C:AWR900 4.5 38.4 1.0
CG C:LYS188 4.8 19.4 1.0
CAU C:AWR900 4.9 27.4 1.0
CAH C:AWR900 5.0 27.6 1.0
CB C:VAL173 5.0 20.5 1.0

Fluorine binding site 9 out of 12 in 5aik

Go back to Fluorine Binding Sites List in 5aik
Fluorine binding site 9 out of 12 in the Human DYRK1A in Complex with Ldn-211898


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Human DYRK1A in Complex with Ldn-211898 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F900

b:32.6
occ:1.00
 FAE C:AWR900 0.0 32.6 1.0
CAX C:AWR900 1.3 30.9 1.0
FAC C:AWR900 2.1 31.9 1.0
FAD C:AWR900 2.1 32.6 1.0
CAR C:AWR900 2.3 28.6 1.0
NAO C:AWR900 2.5 27.1 1.0
CG C:ASP307 3.3 26.3 1.0
NZ C:LYS188 3.3 21.3 1.0
CB C:ASP307 3.4 25.9 1.0
OD2 C:ASP307 3.5 26.9 1.0
OD1 C:ASP307 3.6 26.6 1.0
CAV C:AWR900 3.7 27.9 1.0
CE C:LYS188 3.7 20.7 1.0
CE2 C:PHE170 3.8 26.1 1.0
CAF C:AWR900 3.8 27.1 1.0
CA C:ASP307 4.2 25.4 1.0
CZ C:PHE170 4.2 24.8 1.0
CD2 C:PHE170 4.4 26.6 1.0
NAW C:AWR900 4.5 29.1 1.0
CD C:LYS188 4.6 19.9 1.0
CAN C:AWR900 4.6 32.3 1.0
CAT C:AWR900 4.8 27.6 1.0
N C:ASP307 4.8 25.3 1.0
CAH C:AWR900 4.8 27.6 1.0
CAM C:AWR900 5.0 35.4 1.0
CAK C:AWR900 5.0 39.8 1.0

Fluorine binding site 10 out of 12 in 5aik

Go back to Fluorine Binding Sites List in 5aik
Fluorine binding site 10 out of 12 in the Human DYRK1A in Complex with Ldn-211898


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Human DYRK1A in Complex with Ldn-211898 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F900

b:48.2
occ:1.00
 FAC D:AWR900 0.0 48.2 1.0
CAX D:AWR900 1.3 45.6 1.0
FAD D:AWR900 2.1 46.8 1.0
FAE D:AWR900 2.1 47.6 1.0
CAR D:AWR900 2.3 42.4 1.0
NAO D:AWR900 3.2 41.0 1.0
CAV D:AWR900 3.2 41.5 1.0
CAN D:AWR900 3.4 48.1 1.0
CB D:ASP307 3.4 38.2 1.0
NAW D:AWR900 3.6 43.2 1.0
CG D:ASP307 3.8 38.4 1.0
OD2 D:ASP307 3.8 38.7 1.0
CAM D:AWR900 4.0 52.6 1.0
CG2 D:VAL306 4.3 40.2 1.0
OD1 D:ASN292 4.3 37.7 1.0
CAF D:AWR900 4.4 40.6 1.0
CAT D:AWR900 4.5 40.5 1.0
CA D:ASP307 4.5 38.2 1.0
OD1 D:ASP307 4.6 38.1 1.0
N D:ASP307 4.7 38.5 1.0
CB D:VAL306 4.9 40.1 1.0
CE2 D:PHE170 4.9 38.6 1.0
CAU D:AWR900 4.9 40.5 1.0
CAH D:AWR900 4.9 40.0 1.0
NZ D:LYS188 5.0 32.5 1.0

Reference:

J.M.Elkins, M.Soundararajan, J.R.C.Muniz, G.Cuny, J.Higgins, A.Edwards, C.Bountra, S.Knapp. DYRK1A with Ldn-211898 To Be Published.
Page generated: Thu Aug 1 07:45:47 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