Atomistry » Fluorine » PDB 5pzm-5qc0 » 5q1x
Atomistry »
  Fluorine »
    PDB 5pzm-5qc0 »
      5q1x »

Fluorine in PDB 5q1x: Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000085A

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000085A, PDB code: 5q1x was solved by J.A.Newman, H.Aitkenhead, S.Y.Lee, K.Kupinska, N.Burgess-Brown, R.Tallon, T.Krojer, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.23 / 1.42
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.150, 57.230, 115.080, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 19.4

Other elements in 5q1x:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000085A also contains other interesting chemical elements:

Nickel (Ni) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000085A (pdb code 5q1x). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000085A, PDB code: 5q1x:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5q1x

Go back to Fluorine Binding Sites List in 5q1x
Fluorine binding site 1 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000085A


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 DCLRE1A in Complex with FMOPL000085A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1103

b:27.3
occ:0.51
 F1 A:AY41103 0.0 27.3 0.5
C8 A:AY41103 1.4 24.4 0.5
C7 A:AY41103 2.3 24.6 0.5
C9 A:AY41103 2.4 25.3 0.5
O1 A:AY41103 2.7 26.7 0.5
O A:HOH1227 3.3 21.5 1.0
CB A:GLU884 3.4 17.7 1.0
N A:LYS885 3.5 17.9 1.0
C6 A:AY41103 3.6 24.2 0.5
CD1 A:LEU888 3.6 23.9 1.0
C4 A:AY41103 3.7 25.2 0.5
C A:GLU884 3.8 17.4 1.0
CG A:LYS885 3.8 29.6 1.0
O A:HOH1352 3.8 23.2 1.0
CA A:LYS885 4.0 20.1 1.0
CA A:GLU884 4.1 16.4 1.0
C5 A:AY41103 4.1 24.5 0.5
CD A:LYS885 4.2 31.0 1.0
CB A:LYS885 4.4 24.8 1.0
O A:GLU884 4.4 18.3 1.0
CG A:GLU884 4.5 18.8 1.0
N A:GLU884 4.6 15.9 1.0
CD1 A:ILE916 4.6 22.6 0.5
CD1 A:ILE913 4.7 24.1 0.5
F2 A:AY41103 4.7 27.1 0.5
OE1 A:GLU884 4.7 17.4 1.0
CG A:LEU888 4.8 20.7 1.0
C3 A:AY41103 4.9 27.6 0.5
CG1 A:ILE916 5.0 23.4 0.5

Fluorine binding site 2 out of 6 in 5q1x

Go back to Fluorine Binding Sites List in 5q1x
Fluorine binding site 2 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000085A


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 DCLRE1A in Complex with FMOPL000085A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1103

b:27.1
occ:0.51
 F2 A:AY41103 0.0 27.1 0.5
C6 A:AY41103 1.4 24.2 0.5
C5 A:AY41103 2.3 24.5 0.5
C7 A:AY41103 2.4 24.6 0.5
CG2 A:ILE913 3.5 23.3 0.5
C8 A:AY41103 3.6 24.4 0.5
C4 A:AY41103 3.6 25.2 0.5
CB A:GLU915 3.8 36.8 0.5
CD1 A:ILE913 4.1 37.6 0.5
C9 A:AY41103 4.1 25.3 0.5
CG1 A:ILE916 4.5 23.4 0.5
CG A:GLU915 4.6 41.2 0.5
F1 A:AY41103 4.7 27.3 0.5
CD1 A:LEU888 4.8 23.9 1.0
CD A:PRO914 4.8 27.4 0.5
C3 A:AY41103 4.8 27.6 0.5
N A:ILE916 4.9 27.4 0.5
CB A:ILE913 4.9 22.2 0.5
C A:GLU915 4.9 31.4 0.5
CA A:GLU915 5.0 33.2 0.5
O A:PRO914 5.0 25.2 0.5

Fluorine binding site 3 out of 6 in 5q1x

Go back to Fluorine Binding Sites List in 5q1x
Fluorine binding site 3 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000085A


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 DCLRE1A in Complex with FMOPL000085A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1104

b:23.3
occ:0.53
 F1 A:AY41104 0.0 23.3 0.5
OH A:TYR1040 1.0 21.4 0.5
C8 A:AY41104 1.4 20.3 0.5
CZ A:TYR1040 2.0 22.1 0.5
C7 A:AY41104 2.3 20.6 0.5
C9 A:AY41104 2.4 19.3 0.5
CE2 A:TYR1040 2.4 22.6 0.5
O1 A:AY41104 2.8 18.3 0.5
CB A:TRP1034 3.2 16.5 1.0
CE1 A:TYR1040 3.2 23.4 0.5
CG A:GLN1005 3.3 16.7 1.0
C A:TRP1034 3.4 17.8 1.0
O A:TRP1034 3.5 18.9 1.0
C6 A:AY41104 3.6 21.3 0.5
CA A:GLN1005 3.6 17.0 1.0
N A:LYS1035 3.6 19.1 1.0
C4 A:AY41104 3.7 20.4 0.5
N A:GLN1005 3.8 16.0 1.0
CG1 A:VAL1004 3.8 17.9 1.0
CD2 A:TYR1040 3.8 24.6 0.5
CA A:TRP1034 4.0 17.3 1.0
O A:VAL1004 4.0 16.4 1.0
C A:VAL1004 4.0 15.9 1.0
CA A:LYS1035 4.0 19.9 1.0
CB A:GLN1005 4.0 18.6 1.0
C5 A:AY41104 4.1 20.3 0.5
CB A:ALA1038 4.4 28.9 0.5
CD1 A:TYR1040 4.4 24.2 0.5
CG A:TRP1034 4.4 16.7 1.0
CE3 A:TRP1034 4.5 16.3 1.0
CD A:GLN1005 4.5 18.6 1.0
CB A:VAL1004 4.6 15.7 1.0
CG A:TYR1040 4.6 25.8 0.5
NE2 A:GLN1005 4.6 19.6 1.0
F2 A:AY41104 4.7 24.1 0.5
CB A:LYS1035 4.8 22.4 1.0
O A:PHE1031 4.8 19.2 1.0
CD2 A:TRP1034 4.8 16.1 1.0
C A:GLN1005 4.9 18.7 1.0
C3 A:AY41104 4.9 22.2 0.5
CA A:VAL1004 5.0 16.6 1.0

Fluorine binding site 4 out of 6 in 5q1x

Go back to Fluorine Binding Sites List in 5q1x
Fluorine binding site 4 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000085A


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 DCLRE1A in Complex with FMOPL000085A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1104

b:24.1
occ:0.53
 F2 A:AY41104 0.0 24.1 0.5
CD1 A:TYR1040 1.0 24.2 0.5
CG A:TYR1040 1.2 25.8 0.5
C6 A:AY41104 1.4 21.3 0.5
CE1 A:TYR1040 2.0 23.4 0.5
CB A:TYR1040 2.1 28.1 0.5
CD2 A:TYR1040 2.2 24.6 0.5
C5 A:AY41104 2.3 20.3 0.5
C7 A:AY41104 2.4 20.6 0.5
CZ A:TYR1040 2.8 22.1 0.5
CE2 A:TYR1040 2.8 22.6 0.5
CD2 A:TYR1040 3.1 41.7 0.5
CE2 A:TYR1040 3.1 43.9 0.5
CA A:LYS1008 3.2 20.1 1.0
CB A:LYS1008 3.2 21.5 1.0
CA A:TYR1040 3.4 30.5 0.5
C8 A:AY41104 3.6 20.3 0.5
C4 A:AY41104 3.6 20.4 0.5
CG A:LYS1008 3.6 24.3 1.0
C A:LYS1008 3.7 20.1 1.0
C A:TYR1040 3.8 35.1 0.5
OXT A:TYR1040 3.8 39.1 0.5
O A:LYS1008 4.0 21.6 1.0
OH A:TYR1040 4.1 21.4 0.5
O A:HOH1368 4.1 46.4 1.0
CG A:TYR1040 4.1 39.4 0.5
C9 A:AY41104 4.1 19.3 0.5
N A:TYR1040 4.2 29.3 0.5
O A:PRO1009 4.2 22.4 1.0
CZ A:TYR1040 4.2 41.4 0.5
N A:PRO1009 4.3 19.2 1.0
N A:LYS1008 4.5 18.1 1.0
CD A:LYS1008 4.5 27.0 1.0
O A:TYR1040 4.6 37.6 0.5
F1 A:AY41104 4.7 23.3 0.5
CD A:PRO1009 4.7 18.8 1.0
CB A:TYR1040 4.8 36.9 0.5
C3 A:AY41104 4.8 22.2 0.5
OH A:TYR1040 4.8 45.5 0.5
CG A:LYS1035 4.9 27.6 1.0
CB A:ALA1038 4.9 28.9 0.5
CD1 A:TYR1040 4.9 39.6 0.5
CE1 A:TYR1040 5.0 41.3 0.5

Fluorine binding site 5 out of 6 in 5q1x

Go back to Fluorine Binding Sites List in 5q1x
Fluorine binding site 5 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000085A


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 DCLRE1A in Complex with FMOPL000085A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1105

b:26.6
occ:0.40
 F1 A:AY41105 0.0 26.6 0.4
C8 A:AY41105 1.4 20.7 0.4
C7 A:AY41105 2.3 20.5 0.4
C9 A:AY41105 2.4 20.6 0.4
O1 A:AY41105 2.7 26.3 0.4
C6 A:AY41105 3.6 20.1 0.4
O A:HOH1494 3.6 31.2 1.0
C4 A:AY41105 3.6 20.2 0.4
CB A:TRP1021 3.8 16.6 1.0
CD1 A:TRP1021 4.0 16.8 1.0
CG A:TRP1021 4.1 17.9 1.0
C5 A:AY41105 4.1 20.2 0.4
F2 A:AY41105 4.7 21.5 0.4
O A:HOH1375 4.7 35.8 1.0
C3 A:AY41105 4.9 20.4 0.4
NE1 A:TRP1021 5.0 17.7 1.0

Fluorine binding site 6 out of 6 in 5q1x

Go back to Fluorine Binding Sites List in 5q1x
Fluorine binding site 6 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000085A


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 DCLRE1A in Complex with FMOPL000085A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1105

b:21.5
occ:0.40
 F2 A:AY41105 0.0 21.5 0.4
C6 A:AY41105 1.4 20.1 0.4
C5 A:AY41105 2.4 20.2 0.4
C7 A:AY41105 2.4 20.5 0.4
O A:HOH1379 3.1 32.4 1.0
C8 A:AY41105 3.6 20.7 0.4
C4 A:AY41105 3.6 20.2 0.4
C9 A:AY41105 4.1 20.6 0.4
CB A:TRP1021 4.1 16.6 1.0
CE3 A:TRP1021 4.5 25.1 1.0
CG A:TRP1021 4.6 17.9 1.0
O A:TRP1021 4.7 18.1 1.0
F1 A:AY41105 4.7 26.6 0.4
CD2 A:TRP1021 4.7 21.2 1.0
CB A:SER1025 4.8 23.5 1.0
C3 A:AY41105 4.8 20.4 0.4
CA A:TRP1021 5.0 16.3 1.0

Reference:

J.A.Newman, H.Aitkenhead, S.Y.Lee, K.Kupinska, N.Burgess-Brown, R.Tallon, T.Krojer, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi. Pandda Analysis Group Deposition To Be Published.
Page generated: Tue Jul 15 06:10:21 2025

Last articles

Mg in 1XYA
Mg in 1XX1
Mg in 1XVR
Mg in 1XUO
Mg in 1XU4
Mg in 1XVN
Mg in 1XVK
Mg in 1XTS
Mg in 1XTR
Mg in 1XTQ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy