Atomistry » Fluorine » PDB 5qtr-5rah » 5qxn
Atomistry »
  Fluorine »
    PDB 5qtr-5rah »
      5qxn »

Fluorine in PDB 5qxn: Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826:
3.6.1.3;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826, PDB code: 5qxn was solved by M.Snee, R.Talon, D.Fowley, P.Collins, A.Nelson, C.H.Arrowsmith, C.Bountra, A.Edwards, F.Von-Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.58 / 1.41
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.340, 80.340, 139.990, 90.00, 90.00, 120.00
R / Rfree (%) 17.4 / 19

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826 (pdb code 5qxn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826, PDB code: 5qxn:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 5qxn

Go back to Fluorine Binding Sites List in 5qxn
Fluorine binding site 1 out of 9 in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:83.9
occ:0.48
 F17 A:RHG1201 0.0 83.9 0.5
C16 A:RHG1201 1.4 79.9 0.5
F19 A:RHG1201 2.2 82.4 0.5
F18 A:RHG1201 2.3 78.5 0.5
O A:HOH1468 2.5 43.8 0.5
S02 A:RHG1201 2.6 78.1 0.5
O A:HOH1401 2.9 27.6 1.0
C14 A:RHG1201 3.0 64.4 0.5
N04 A:RHG1201 3.1 70.2 0.5
O03 A:RHG1201 3.4 74.9 0.5
C12 A:RHG1201 3.7 57.9 0.5
C13 A:RHG1201 3.7 61.3 0.5
O01 A:RHG1201 3.8 78.0 0.5
C06 A:RHG1201 3.9 63.6 0.5
C05 A:RHG1201 4.1 67.2 0.5
O A:HOH1476 4.2 34.1 1.0
N11 A:RHG1201 4.7 57.5 0.5
O A:HOH1423 4.7 51.9 1.0

Fluorine binding site 2 out of 9 in 5qxn

Go back to Fluorine Binding Sites List in 5qxn
Fluorine binding site 2 out of 9 in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:78.5
occ:0.48
 F18 A:RHG1201 0.0 78.5 0.5
C16 A:RHG1201 1.4 79.9 0.5
F19 A:RHG1201 2.2 82.4 0.5
F17 A:RHG1201 2.3 83.9 0.5
S02 A:RHG1201 2.6 78.1 0.5
O01 A:RHG1201 2.9 78.0 0.5
N04 A:RHG1201 3.6 70.2 0.5
O03 A:RHG1201 3.8 74.9 0.5
C05 A:RHG1201 4.2 67.2 0.5
C06 A:RHG1201 4.2 63.6 0.5
O A:HOH1468 4.3 43.8 0.5
C14 A:RHG1201 4.3 64.4 0.5
C13 A:RHG1201 4.7 61.3 0.5
O A:HOH1401 4.9 27.6 1.0
C12 A:RHG1201 5.0 57.9 0.5

Fluorine binding site 3 out of 9 in 5qxn

Go back to Fluorine Binding Sites List in 5qxn
Fluorine binding site 3 out of 9 in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:82.4
occ:0.48
 F19 A:RHG1201 0.0 82.4 0.5
C16 A:RHG1201 1.4 79.9 0.5
F17 A:RHG1201 2.2 83.9 0.5
F18 A:RHG1201 2.2 78.5 0.5
S02 A:RHG1201 2.6 78.1 0.5
O03 A:RHG1201 2.8 74.9 0.5
O A:HOH1476 2.9 34.1 1.0
O01 A:RHG1201 3.3 78.0 0.5
O A:HOH1401 3.4 27.6 1.0
N04 A:RHG1201 4.0 70.2 0.5
O A:HOH1468 4.3 43.8 0.5
C14 A:RHG1201 4.4 64.4 0.5

Fluorine binding site 4 out of 9 in 5qxn

Go back to Fluorine Binding Sites List in 5qxn
Fluorine binding site 4 out of 9 in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1202

b:64.9
occ:0.30
 F17 A:RHG1202 0.0 64.9 0.3
C16 A:RHG1202 1.4 65.1 0.3
F19 A:RHG1202 2.2 64.6 0.3
F18 A:RHG1202 2.3 60.7 0.3
O A:HOH1444 2.4 37.5 0.3
S02 A:RHG1202 2.6 66.9 0.3
O03 A:RHG1202 3.0 65.9 0.3
N04 A:RHG1202 3.4 63.4 0.3
O A:HOH1496 3.6 36.2 1.0
O01 A:RHG1202 3.8 67.9 0.3
C14 A:RHG1202 4.0 61.7 0.3
O A:ALA1001 4.3 17.2 1.0
O A:HOH1376 4.3 45.4 1.0
O A:HOH1356 4.5 21.0 1.0
C05 A:RHG1202 4.6 62.0 0.3

Fluorine binding site 5 out of 9 in 5qxn

Go back to Fluorine Binding Sites List in 5qxn
Fluorine binding site 5 out of 9 in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1202

b:60.7
occ:0.30
 F18 A:RHG1202 0.0 60.7 0.3
C16 A:RHG1202 1.4 65.1 0.3
F19 A:RHG1202 2.2 64.6 0.3
F17 A:RHG1202 2.3 64.9 0.3
S02 A:RHG1202 2.6 66.9 0.3
O01 A:RHG1202 2.9 67.9 0.3
O03 A:RHG1202 3.2 65.9 0.3
O A:HOH1376 3.9 45.4 1.0
N04 A:RHG1202 4.1 63.4 0.3
CG2 A:ILE1002 4.5 21.6 1.0
O A:HOH1444 4.5 37.5 0.3
C14 A:RHG1202 4.7 61.7 0.3
O A:HOH1496 4.8 36.2 1.0
O A:ALA1001 4.8 17.2 1.0
CA A:ILE1002 4.8 16.6 1.0

Fluorine binding site 6 out of 9 in 5qxn

Go back to Fluorine Binding Sites List in 5qxn
Fluorine binding site 6 out of 9 in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1202

b:64.6
occ:0.30
 F19 A:RHG1202 0.0 64.6 0.3
C16 A:RHG1202 1.4 65.1 0.3
F18 A:RHG1202 2.2 60.7 0.3
F17 A:RHG1202 2.2 64.9 0.3
S02 A:RHG1202 2.6 66.9 0.3
O A:ALA1001 2.7 17.2 1.0
C14 A:RHG1202 3.0 61.7 0.3
N04 A:RHG1202 3.1 63.4 0.3
O01 A:RHG1202 3.3 67.9 0.3
C A:ALA1001 3.5 15.4 1.0
O A:HOH1444 3.7 37.5 0.3
CA A:ILE1002 3.8 16.6 1.0
O03 A:RHG1202 3.8 65.9 0.3
N A:ILE1002 4.0 14.8 1.0
CG2 A:ILE1002 4.1 21.6 1.0
O A:HOH1356 4.2 21.0 1.0
O A:HOH1376 4.3 45.4 1.0
O A:HOH1496 4.4 36.2 1.0
CB A:ALA1001 4.4 15.3 1.0
C13 A:RHG1202 4.5 60.7 0.3
CB A:ILE1002 4.5 18.6 1.0
CA A:ALA1001 4.5 12.8 1.0
C05 A:RHG1202 4.6 62.0 0.3
C A:ILE1002 4.8 18.0 1.0
CG2 A:THR1010 4.8 18.5 1.0
O15 A:RHG1202 4.9 61.1 0.3

Fluorine binding site 7 out of 9 in 5qxn

Go back to Fluorine Binding Sites List in 5qxn
Fluorine binding site 7 out of 9 in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1203

b:23.0
occ:0.48
 F17 A:RHG1203 0.0 23.0 0.5
C16 A:RHG1203 1.4 23.0 0.5
F18 A:RHG1203 2.3 21.4 0.5
F19 A:RHG1203 2.3 25.1 0.5
S02 A:RHG1203 2.5 22.2 0.5
O01 A:RHG1203 3.0 23.5 0.5
N04 A:RHG1203 3.0 20.2 0.5
C14 A:RHG1203 3.2 19.8 0.5
CG A:PRO1065 3.4 16.2 0.5
O A:HOH1393 3.4 22.2 0.5
O A:GLU1062 3.4 16.2 0.2
CD A:PRO1065 3.5 16.3 0.5
O A:GLU1062 3.6 19.5 0.1
O A:GLU1062 3.6 19.5 0.1
O A:HOH1311 3.7 21.0 0.5
O03 A:RHG1203 3.8 22.6 0.5
O A:TYR1063 3.9 14.7 0.5
C05 A:RHG1203 4.1 20.1 0.5
C A:TYR1063 4.2 15.8 0.5
CA A:TYR1063 4.5 16.2 0.5
C A:GLU1062 4.6 16.0 0.2
C13 A:RHG1203 4.6 19.8 0.5
C A:GLU1062 4.7 17.5 0.1
C A:GLU1062 4.7 17.5 0.1
CB A:PRO1065 4.7 16.8 0.5
N A:PRO1065 4.9 15.5 0.5

Fluorine binding site 8 out of 9 in 5qxn

Go back to Fluorine Binding Sites List in 5qxn
Fluorine binding site 8 out of 9 in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1203

b:21.4
occ:0.48
 F18 A:RHG1203 0.0 21.4 0.5
C16 A:RHG1203 1.4 23.0 0.5
F19 A:RHG1203 2.2 25.1 0.5
F17 A:RHG1203 2.3 23.0 0.5
S02 A:RHG1203 2.4 22.2 0.5
N04 A:RHG1203 2.9 20.2 0.5
O03 A:RHG1203 2.9 22.6 0.5
C05 A:RHG1203 3.1 20.1 0.5
CG1 A:VAL1024 3.3 23.3 0.5
O A:TYR1063 3.5 14.7 0.5
CD1 A:TYR1063 3.6 19.0 0.5
CA A:TYR1063 3.6 16.2 0.5
O01 A:RHG1203 3.7 23.5 0.5
CG2 A:VAL1024 3.7 24.2 0.5
O A:GLU1062 3.8 16.2 0.2
C14 A:RHG1203 3.8 19.8 0.5
C A:TYR1063 3.9 15.8 0.5
O A:GLU1062 4.0 19.5 0.1
O A:GLU1062 4.0 19.5 0.1
CE1 A:TYR1063 4.1 19.4 0.5
CB A:VAL1024 4.1 22.8 0.5
CG A:TYR1063 4.2 17.9 0.5
CB A:TYR1063 4.4 17.0 0.5
C06 A:RHG1203 4.5 20.3 0.5
N A:TYR1063 4.6 16.3 0.5
C A:GLU1062 4.6 16.0 0.2
C A:GLU1062 4.7 17.5 0.1
C A:GLU1062 4.7 17.5 0.1
C13 A:RHG1203 4.8 19.8 0.5
O A:HOH1311 4.9 21.0 0.5
CD A:PRO1065 4.9 16.3 0.5

Fluorine binding site 9 out of 9 in 5qxn

Go back to Fluorine Binding Sites List in 5qxn
Fluorine binding site 9 out of 9 in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with DF826 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1203

b:25.1
occ:0.48
 F19 A:RHG1203 0.0 25.1 0.5
C16 A:RHG1203 1.3 23.0 0.5
F18 A:RHG1203 2.2 21.4 0.5
F17 A:RHG1203 2.3 23.0 0.5
S02 A:RHG1203 2.5 22.2 0.5
O03 A:RHG1203 3.0 22.6 0.5
O01 A:RHG1203 3.1 23.5 0.5
CG1 A:VAL1024 3.9 23.3 0.5
N04 A:RHG1203 3.9 20.2 0.5
O A:HOH1311 4.2 21.0 0.5
CG2 A:VAL1024 4.2 24.2 0.5
O A:GLU1062 4.4 16.2 0.2
O A:GLU1062 4.6 19.5 0.1
O A:GLU1062 4.6 19.5 0.1
CB A:VAL1024 4.7 22.8 0.5
C14 A:RHG1203 4.8 19.8 0.5
C05 A:RHG1203 4.8 20.1 0.5
O A:HOH1393 4.9 22.2 0.5

Reference:

M.Snee, R.Talon, D.Fowley, P.Collins, A.Nelson, C.H.Arrowsmith, C.Bountra, A.Edwards, F.Von-Delft. Pandda Analysis Group Deposition - Bromodomain of Human ATAD2 Fragment Screening To Be Published.
Page generated: Thu Aug 1 13:30:12 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