Atomistry » Fluorine » PDB 7hnq-7jlr » 7htb
Atomistry »
  Fluorine »
    PDB 7hnq-7jlr »
      7htb »

Fluorine in PDB 7htb: Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z385450668

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z385450668

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z385450668:
3.1.2.14;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z385450668, PDB code: 7htb was solved by E.Kot, X.Ni, C.W.E.Tomlinson, D.Fearon, J.C.Aschenbrenner, M.Fairhead, L.Koekemoer, M.L.Marx, N.D.Wright, N.P.Mulholland, M.G.Montgomery, F.Vondelft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.26 / 1.98
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 99.474, 99.448, 128.704, 90, 90, 90
R / Rfree (%) 30.6 / 33.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z385450668 (pdb code 7htb). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z385450668, PDB code: 7htb:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7htb

Go back to Fluorine Binding Sites List in 7htb
Fluorine binding site 1 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z385450668


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 Fata in Complex with Z385450668 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:55.9
occ:0.66
 F1 A:LL0401 0.0 55.9 0.7
C7 A:LL0401 1.3 56.3 0.7
F2 A:LL0401 2.1 56.3 0.7
O3 A:LL0401 2.2 56.5 0.7
N1 A:LL0401 2.9 56.9 0.7
O2 A:SO4402 2.9 105.0 1.0
C6 A:LL0401 3.2 56.4 0.7
O3 A:SO4402 3.6 105.0 1.0
NE1 A:TRP141 3.7 39.0 1.0
S A:SO4402 3.7 104.9 1.0
OG1 A:THR174 3.8 46.5 1.0
CG2 A:THR174 3.9 46.2 1.0
C1 A:LL0401 3.9 56.5 0.7
CE2 A:TRP141 4.0 39.2 1.0
S1 A:LL0401 4.0 56.8 0.7
C5 A:LL0401 4.1 56.1 0.7
CZ2 A:TRP141 4.1 40.2 1.0
CB A:THR174 4.2 45.3 1.0
O1 A:SO4402 4.2 104.8 1.0
CG A:TYR217 4.3 61.7 1.0
CB A:TYR217 4.5 59.4 1.0
CD1 A:TYR217 4.5 63.4 1.0
CD2 A:TYR217 4.5 63.5 1.0
SG A:CYS166 4.5 36.3 0.7
CD1 A:TRP141 4.5 39.2 1.0
O2 A:LL0401 4.7 56.8 0.7
CB A:CYS166 4.8 33.8 0.7
CD2 A:TRP141 4.8 38.6 1.0
CE2 A:TYR217 4.9 65.1 1.0
CE1 A:TYR217 4.9 65.0 1.0
CH2 A:TRP141 5.0 40.2 1.0

Fluorine binding site 2 out of 4 in 7htb

Go back to Fluorine Binding Sites List in 7htb
Fluorine binding site 2 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z385450668


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 Fata in Complex with Z385450668 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:56.3
occ:0.66
 F2 A:LL0401 0.0 56.3 0.7
C7 A:LL0401 1.3 56.3 0.7
F1 A:LL0401 2.1 55.9 0.7
O3 A:LL0401 2.2 56.5 0.7
C6 A:LL0401 2.6 56.4 0.7
C5 A:LL0401 2.7 56.1 0.7
CB A:CYS166 3.5 33.8 0.7
SG A:CYS221 3.6 48.2 1.0
O2 A:SO4402 3.7 105.0 1.0
C1 A:LL0401 3.8 56.5 0.7
SG A:CYS166 3.8 36.3 0.7
C4 A:LL0401 3.9 55.8 0.7
CB A:TYR217 3.9 59.4 1.0
CD1 A:TYR217 3.9 63.4 1.0
CG A:TYR217 4.0 61.7 1.0
N1 A:LL0401 4.2 56.9 0.7
O A:TYR217 4.4 56.8 1.0
CG2 A:THR174 4.6 46.2 1.0
C2 A:LL0401 4.7 56.2 0.7
S1 A:LL0401 4.7 56.8 0.7
C3 A:LL0401 4.7 55.7 0.7
CE1 A:TYR217 4.8 65.0 1.0
CD2 A:TYR217 4.9 63.5 1.0
CA A:CYS166 4.9 34.0 0.7

Fluorine binding site 3 out of 4 in 7htb

Go back to Fluorine Binding Sites List in 7htb
Fluorine binding site 3 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z385450668


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 Fata in Complex with Z385450668 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:50.5
occ:0.65
 F1 B:LL0401 0.0 50.5 0.7
C7 B:LL0401 1.3 50.5 0.7
F2 B:LL0401 2.1 49.9 0.7
O3 B:LL0401 2.2 50.6 0.7
CG B:TYR217 3.0 40.0 0.7
CD2 B:TYR217 3.1 41.2 0.7
CB B:TYR217 3.3 38.5 0.7
CD1 B:TYR217 3.3 41.7 0.7
C6 B:LL0401 3.4 50.2 0.7
NE1 B:TRP141 3.5 27.6 0.7
CZ2 B:TRP141 3.6 28.8 0.7
CE2 B:TYR217 3.7 42.7 0.7
CE2 B:TRP141 3.8 27.7 0.7
CE1 B:TYR217 3.8 43.0 0.7
O2 B:LL0401 3.8 50.8 0.7
CZ B:TYR217 4.0 44.0 0.7
C5 B:LL0401 4.1 49.9 0.7
OG1 B:THR174 4.4 38.0 0.7
O4 B:SO4402 4.4 65.0 0.7
C1 B:LL0401 4.5 50.2 0.7
CD1 B:TRP141 4.6 27.6 0.7
CH2 B:TRP141 4.7 28.9 0.7
S1 B:LL0401 4.8 50.8 0.7
CG2 B:THR174 4.8 37.3 0.7
CA B:TYR217 4.8 38.2 0.7
CB B:THR174 4.9 37.0 0.7
OH B:TYR217 5.0 46.1 0.7

Fluorine binding site 4 out of 4 in 7htb

Go back to Fluorine Binding Sites List in 7htb
Fluorine binding site 4 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z385450668


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 Fata in Complex with Z385450668 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:49.9
occ:0.65
 F2 B:LL0401 0.0 49.9 0.7
C7 B:LL0401 1.3 50.5 0.7
F1 B:LL0401 2.1 50.5 0.7
O3 B:LL0401 2.2 50.6 0.7
O4 B:SO4402 2.8 65.0 0.7
CG2 B:THR174 3.0 37.3 0.7
C6 B:LL0401 3.0 50.2 0.7
O2 B:LL0401 3.5 50.8 0.7
OG1 B:THR174 3.6 38.0 0.7
C5 B:LL0401 3.7 49.9 0.7
O3 B:SO4402 3.7 64.8 0.7
CB B:THR174 3.7 37.0 0.7
S B:SO4402 3.7 64.9 0.7
SG B:CYS166 4.0 43.7 1.0
C1 B:LL0401 4.0 50.2 0.7
O1 B:SO4402 4.0 64.8 0.7
NE1 B:TRP141 4.1 27.6 0.7
CE2 B:TRP141 4.2 27.7 0.7
CZ2 B:TRP141 4.2 28.8 0.7
CB B:CYS166 4.2 37.0 1.0
CD1 B:TYR217 4.4 41.7 0.7
S1 B:LL0401 4.4 50.8 0.7
CG B:TYR217 4.6 40.0 0.7
CE1 B:TYR217 4.6 43.0 0.7
CD1 B:TRP141 4.8 27.6 0.7
C4 B:LL0401 4.9 49.4 0.7
CB B:TYR217 4.9 38.5 0.7
CD2 B:TRP141 5.0 26.9 0.7
CH2 B:TRP141 5.0 28.9 0.7
CD2 B:TYR217 5.0 41.2 0.7

Reference:

E.Kot, X.Ni, C.W.E.Tomlinson, D.Fearon, J.C.Aschenbrenner, M.Fairhead, L.Koekemoer, M.L.Marx, N.D.Wright, N.P.Mulholland, M.G.Montgomery, F.Von Delft. Pandda Analysis Group Deposition To Be Published.
Page generated: Sat Aug 23 01:41:08 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy