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Fluorine in PDB 7hsm: Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z2072621991

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z2072621991

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z2072621991:
3.1.2.14;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z2072621991, PDB code: 7hsm 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) 28.12 / 2.24
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 99.025, 99.081, 127.536, 90, 90, 90
R / Rfree (%) 26.2 / 29.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z2072621991 (pdb code 7hsm). 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 Z2072621991, PDB code: 7hsm:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7hsm

Go back to Fluorine Binding Sites List in 7hsm
Fluorine binding site 1 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z2072621991


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 Z2072621991 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:47.0
occ:0.60
 F1 A:LQP401 0.0 47.0 0.6
C1 A:LQP401 1.3 47.3 0.6
F2 A:LQP401 2.1 47.9 0.6
O1 A:LQP401 2.2 47.4 0.6
C2 A:LQP401 2.8 46.9 0.6
OG1 A:THR174 2.9 56.0 1.0
CB A:THR174 3.3 54.0 1.0
CD1 A:TRP196 3.6 46.7 1.0
CG A:TRP196 3.8 46.4 1.0
C3 A:LQP401 3.9 46.6 0.6
CB A:TRP196 4.0 47.2 1.0
SG A:CYS166 4.0 42.7 0.6
CB A:ARG176 4.1 42.4 1.0
C A:THR174 4.1 50.9 1.0
NE1 A:TRP196 4.2 46.6 1.0
CG2 A:THR174 4.2 54.0 1.0
C A:ARG175 4.2 45.5 1.0
O2 A:LQP401 4.2 46.7 0.6
O A:ARG175 4.3 46.3 1.0
O A:THR174 4.3 51.1 1.0
N A:ARG176 4.3 43.4 1.0
N A:ARG175 4.3 49.1 1.0
CD2 A:TRP196 4.3 46.1 1.0
CA A:THR174 4.4 52.5 1.0
CE2 A:TRP196 4.6 46.5 1.0
CA A:ARG176 4.7 42.1 1.0
CB A:CYS166 4.7 43.1 0.6
CA A:ARG175 4.7 47.3 1.0
N1 A:LQP401 4.9 46.2 0.6

Fluorine binding site 2 out of 4 in 7hsm

Go back to Fluorine Binding Sites List in 7hsm
Fluorine binding site 2 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z2072621991


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 Z2072621991 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:47.9
occ:0.60
 F2 A:LQP401 0.0 47.9 0.6
C1 A:LQP401 1.3 47.3 0.6
F1 A:LQP401 2.1 47.0 0.6
O1 A:LQP401 2.2 47.4 0.6
C2 A:LQP401 2.8 46.9 0.6
O2 A:LQP401 2.9 46.7 0.6
C3 A:LQP401 3.1 46.6 0.6
O A:HOH575 3.5 65.3 1.0
NE A:ARG176 3.6 49.0 1.0
SG A:CYS166 3.9 42.7 0.6
CB A:ARG176 4.1 42.4 1.0
CE2 A:TRP196 4.1 46.5 1.0
NE1 A:TRP196 4.2 46.6 1.0
CD2 A:TRP196 4.2 46.1 1.0
CD1 A:TRP196 4.2 46.7 1.0
N1 A:LQP401 4.3 46.2 0.6
NH1 A:ARG176 4.3 47.4 1.0
CG A:TRP196 4.3 46.4 1.0
CZ A:ARG176 4.4 49.2 1.0
CD A:ARG176 4.4 46.7 1.0
CZ2 A:TRP196 4.6 47.2 1.0
OG1 A:THR174 4.7 56.0 1.0
CG A:ARG176 4.7 43.7 1.0
CE3 A:TRP196 4.8 46.8 1.0

Fluorine binding site 3 out of 4 in 7hsm

Go back to Fluorine Binding Sites List in 7hsm
Fluorine binding site 3 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z2072621991


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 Z2072621991 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:36.9
occ:0.57
 F1 B:LQP401 0.0 36.9 0.6
C1 B:LQP401 1.3 36.6 0.6
F2 B:LQP401 2.1 36.5 0.6
O1 B:LQP401 2.2 36.2 0.6
C3 B:LQP401 2.7 36.6 0.6
C2 B:LQP401 2.8 36.4 0.6
O2 B:LQP401 2.9 36.9 0.6
NE B:ARG176 3.3 28.1 0.6
N1 B:LQP401 3.4 36.4 0.6
SG B:CYS166 3.7 38.2 0.6
NH1 B:ARG176 3.9 25.3 0.6
CZ B:ARG176 4.0 26.7 0.6
C4 B:LQP401 4.0 36.2 0.6
CB B:ARG176 4.1 27.1 0.6
CD B:ARG176 4.2 28.4 0.6
C10 B:LQP401 4.3 36.5 0.6
CE2 B:TRP196 4.4 20.2 0.6
NE1 B:TRP196 4.5 20.2 0.6
CG B:ARG176 4.6 27.7 0.6
CD2 B:TRP196 4.6 20.0 0.6
CD1 B:TRP196 4.6 20.6 0.6
CG B:TRP196 4.8 20.9 0.6
CZ2 B:TRP196 4.8 20.9 0.6
CG2 B:THR174 4.9 30.2 0.6

Fluorine binding site 4 out of 4 in 7hsm

Go back to Fluorine Binding Sites List in 7hsm
Fluorine binding site 4 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z2072621991


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 Z2072621991 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:36.5
occ:0.57
 F2 B:LQP401 0.0 36.5 0.6
C1 B:LQP401 1.3 36.6 0.6
F1 B:LQP401 2.1 36.9 0.6
O1 B:LQP401 2.2 36.2 0.6
C2 B:LQP401 2.7 36.4 0.6
SG B:CYS166 2.9 38.2 0.6
CG2 B:THR174 2.9 30.2 0.6
C3 B:LQP401 3.4 36.6 0.6
CB B:ARG176 3.7 27.1 0.6
N1 B:LQP401 3.8 36.4 0.6
CB B:CYS166 3.8 35.0 0.6
O B:ARG175 3.9 26.6 0.6
C10 B:LQP401 4.0 36.5 0.6
CB B:THR174 4.0 29.7 0.6
O2 B:LQP401 4.1 36.9 0.6
C B:ARG175 4.2 26.4 0.6
NE B:ARG176 4.2 28.1 0.6
N B:ARG176 4.2 26.1 0.6
CA B:ARG176 4.3 26.8 0.6
CD1 B:TRP196 4.5 20.6 0.6
CG B:ARG176 4.6 27.7 0.6
CA B:CYS166 4.6 34.7 0.6
N B:ARG175 4.7 26.6 0.6
NH1 B:ARG176 4.8 25.3 0.6
CZ B:ARG176 4.8 26.7 0.6
C B:THR174 4.8 27.1 0.6
CG B:TRP196 4.8 20.9 0.6
NE1 B:TRP196 4.8 20.2 0.6
C4 B:LQP401 4.8 36.2 0.6
CD B:ARG176 4.9 28.4 0.6
OG1 B:THR174 4.9 31.6 0.6
CA B:ARG175 5.0 26.7 0.6

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

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