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Fluorine in PDB 5g11: Pseudomonas Aeruginosa Hdah Bound to Pfsaha.

Protein crystallography data

The structure of Pseudomonas Aeruginosa Hdah Bound to Pfsaha., PDB code: 5g11 was solved by A.Kraemer, F.J.Meyer-Almes, O.Yildiz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 75.96 / 2.48
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 81.790, 81.790, 204.860, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 22.4

Other elements in 5g11:

The structure of Pseudomonas Aeruginosa Hdah Bound to Pfsaha. also contains other interesting chemical elements:

Potassium (K) 4 atoms
Zinc (Zn) 2 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Fluorine atom in the Pseudomonas Aeruginosa Hdah Bound to Pfsaha. (pdb code 5g11). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 24 binding sites of Fluorine where determined in the Pseudomonas Aeruginosa Hdah Bound to Pfsaha., PDB code: 5g11:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 24 in 5g11

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Fluorine binding site 1 out of 24 in the Pseudomonas Aeruginosa Hdah Bound to Pfsaha.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pseudomonas Aeruginosa Hdah Bound to Pfsaha. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1372

b:27.6
occ:0.70
F A:7H11372 0.0 27.6 0.7
C1 A:7H11372 1.3 26.7 0.7
F1 A:7H11372 2.2 27.2 0.7
F4 A:7H11372 2.3 31.1 0.7
C A:7H11372 2.3 23.6 0.7
C2 A:7H11372 2.3 29.1 0.7
F2 A:7H11372 2.4 29.6 0.7
N A:7H11372 2.6 21.3 0.7
C3 A:7H11372 2.7 31.2 0.7
O A:GLY152 2.7 17.9 1.0
CD2 A:HIS144 3.2 13.1 1.0
F3 A:7H11372 3.3 30.2 0.7
NE2 A:HIS144 3.4 13.2 1.0
C A:GLY152 3.4 17.8 1.0
O1 A:7H11372 3.5 20.8 0.7
CA A:GLY152 3.5 18.1 1.0
F5 A:7H11372 3.6 32.0 0.7
F7 A:7H11372 3.7 34.2 0.7
CD2 A:PHE153 3.9 21.5 1.0
C4 A:7H11372 3.9 33.1 0.7
O A:7H11372 4.0 19.4 0.7
CE2 A:PHE153 4.1 21.9 1.0
O A:HOH2137 4.4 23.6 1.0
CG A:HIS144 4.5 13.1 1.0
CD2 A:PHE209 4.5 13.7 1.0
CE2 A:PHE209 4.6 13.8 1.0
CG A:PHE153 4.6 20.2 1.0
N A:PHE153 4.6 17.9 1.0
CE1 A:HIS144 4.6 13.0 1.0
ND1 A:HIS183 4.7 13.5 1.0
F6 A:7H11372 4.7 32.6 0.7
F8 A:7H11372 4.8 35.4 0.7
ZN A:ZN1373 4.8 15.5 0.6
C5 A:7H11372 4.9 35.4 0.7
N A:GLY152 5.0 18.1 1.0

Fluorine binding site 2 out of 24 in 5g11

Go back to Fluorine Binding Sites List in 5g11
Fluorine binding site 2 out of 24 in the Pseudomonas Aeruginosa Hdah Bound to Pfsaha.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pseudomonas Aeruginosa Hdah Bound to Pfsaha. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1372

b:27.2
occ:0.70
F1 A:7H11372 0.0 27.2 0.7
C1 A:7H11372 1.3 26.7 0.7
F A:7H11372 2.2 27.6 0.7
C A:7H11372 2.3 23.6 0.7
C2 A:7H11372 2.4 29.1 0.7
F3 A:7H11372 2.5 30.2 0.7
F5 A:7H11372 2.6 32.0 0.7
C3 A:7H11372 2.6 31.2 0.7
O A:HOH2137 2.7 23.6 1.0
F4 A:7H11372 2.7 31.1 0.7
O1 A:7H11372 2.9 20.8 0.7
CD2 A:PHE153 3.0 21.5 1.0
CE2 A:PHE153 3.0 21.9 1.0
N A:7H11372 3.2 21.3 0.7
F2 A:7H11372 3.3 29.6 0.7
O A:GLY152 3.9 17.9 1.0
C4 A:7H11372 4.1 33.1 0.7
CG A:PHE153 4.2 20.2 1.0
CD1 A:LEU276 4.2 13.3 1.0
CZ A:PHE153 4.3 21.4 1.0
O A:7H11372 4.4 19.4 0.7
F7 A:7H11372 4.6 34.2 0.7
C A:GLY152 4.6 17.8 1.0
F6 A:7H11372 4.7 32.6 0.7
CE1 A:HIS183 4.7 13.2 1.0
F9 A:7H11372 4.8 36.6 0.7
ND1 A:HIS183 4.8 13.5 1.0
ZN A:ZN1373 4.8 15.5 0.6
CB A:PHE153 4.9 19.0 1.0
C5 A:7H11372 4.9 35.4 0.7

Fluorine binding site 3 out of 24 in 5g11

Go back to Fluorine Binding Sites List in 5g11
Fluorine binding site 3 out of 24 in the Pseudomonas Aeruginosa Hdah Bound to Pfsaha.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pseudomonas Aeruginosa Hdah Bound to Pfsaha. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1372

b:29.6
occ:0.70
F2 A:7H11372 0.0 29.6 0.7
C2 A:7H11372 1.3 29.1 0.7
C1 A:7H11372 2.1 26.7 0.7
F3 A:7H11372 2.2 30.2 0.7
C3 A:7H11372 2.4 31.2 0.7
F A:7H11372 2.4 27.6 0.7
F7 A:7H11372 2.7 34.2 0.7
C A:7H11372 2.8 23.6 0.7
C4 A:7H11372 2.9 33.1 0.7
F4 A:7H11372 3.0 31.1 0.7
F6 A:7H11372 3.0 32.6 0.7
ND1 A:HIS183 3.1 13.5 1.0
CG A:HIS183 3.3 12.9 1.0
F1 A:7H11372 3.3 27.2 0.7
CE1 A:HIS183 3.4 13.2 1.0
O1 A:7H11372 3.4 20.8 0.7
F5 A:7H11372 3.4 32.0 0.7
CD2 A:PHE209 3.5 13.7 1.0
CG A:PHE209 3.5 13.5 1.0
N A:7H11372 3.5 21.3 0.7
CD2 A:HIS183 3.6 13.1 1.0
NE2 A:HIS144 3.6 13.2 1.0
NE2 A:HIS183 3.6 13.1 1.0
CB A:PHE209 3.6 13.5 1.0
CB A:HIS183 3.9 12.5 1.0
CE2 A:PHE209 4.2 13.8 1.0
CD2 A:HIS144 4.2 13.1 1.0
CD1 A:PHE209 4.3 13.7 1.0
ZN A:ZN1373 4.3 15.5 0.6
C5 A:7H11372 4.3 35.4 0.7
O A:7H11372 4.4 19.4 0.7
CE1 A:HIS144 4.5 13.0 1.0
F8 A:7H11372 4.7 35.4 0.7
CZ A:PHE209 4.8 13.7 1.0
CE1 A:PHE209 4.9 13.8 1.0
F9 A:7H11372 4.9 36.6 0.7

Fluorine binding site 4 out of 24 in 5g11

Go back to Fluorine Binding Sites List in 5g11
Fluorine binding site 4 out of 24 in the Pseudomonas Aeruginosa Hdah Bound to Pfsaha.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Pseudomonas Aeruginosa Hdah Bound to Pfsaha. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1372

b:30.2
occ:0.70
F3 A:7H11372 0.0 30.2 0.7
C2 A:7H11372 1.3 29.1 0.7
C1 A:7H11372 2.1 26.7 0.7
F2 A:7H11372 2.2 29.6 0.7
C3 A:7H11372 2.3 31.2 0.7
F5 A:7H11372 2.4 32.0 0.7
F1 A:7H11372 2.5 27.2 0.7
CE1 A:HIS183 2.6 13.2 1.0
O1 A:7H11372 2.6 20.8 0.7
C A:7H11372 2.7 23.6 0.7
F6 A:7H11372 3.0 32.6 0.7
ND1 A:HIS183 3.2 13.5 1.0
C4 A:7H11372 3.2 33.1 0.7
NE2 A:HIS183 3.2 13.1 1.0
F A:7H11372 3.3 27.6 0.7
F4 A:7H11372 3.4 31.1 0.7
CD1 A:LEU276 3.6 13.3 1.0
F7 A:7H11372 3.9 34.2 0.7
CB A:LEU276 3.9 13.0 1.0
CG A:HIS183 4.0 12.9 1.0
N A:7H11372 4.0 21.3 0.7
CD2 A:HIS183 4.0 13.1 1.0
O A:HOH2137 4.2 23.6 1.0
ZN A:ZN1373 4.2 15.5 0.6
OD2 A:ASP269 4.3 13.3 1.0
CG A:LEU276 4.4 13.2 1.0
F9 A:7H11372 4.4 36.6 0.7
C5 A:7H11372 4.4 35.4 0.7
CE2 A:PHE153 4.7 21.9 1.0
O A:LEU276 4.7 12.2 1.0
O A:7H11372 4.8 19.4 0.7

Fluorine binding site 5 out of 24 in 5g11

Go back to Fluorine Binding Sites List in 5g11
Fluorine binding site 5 out of 24 in the Pseudomonas Aeruginosa Hdah Bound to Pfsaha.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Pseudomonas Aeruginosa Hdah Bound to Pfsaha. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1372

b:31.1
occ:0.70
F4 A:7H11372 0.0 31.1 0.7
C3 A:7H11372 1.3 31.2 0.7
F5 A:7H11372 2.2 32.0 0.7
C4 A:7H11372 2.3 33.1 0.7
F A:7H11372 2.3 27.6 0.7
C2 A:7H11372 2.4 29.1 0.7
F7 A:7H11372 2.4 34.2 0.7
C1 A:7H11372 2.6 26.7 0.7
F8 A:7H11372 2.6 35.4 0.7
F1 A:7H11372 2.7 27.2 0.7
C5 A:7H11372 2.8 35.4 0.7
CE2 A:PHE153 2.9 21.9 1.0
F2 A:7H11372 3.0 29.6 0.7
F9 A:7H11372 3.2 36.6 0.7
CZ A:PHE153 3.4 21.4 1.0
CD2 A:PHE153 3.4 21.5 1.0
F3 A:7H11372 3.4 30.2 0.7
F6 A:7H11372 3.4 32.6 0.7
CA A:GLY152 3.7 18.1 1.0
O A:GLY152 3.8 17.9 1.0
C A:GLY152 3.8 17.8 1.0
C A:7H11372 4.1 23.6 0.7
CE1 A:PHE153 4.1 21.2 1.0
CG A:PHE153 4.1 20.2 1.0
C6 A:7H11372 4.3 36.7 0.7
CD1 A:PHE153 4.4 21.1 1.0
F11 A:7H11372 4.5 37.5 0.7
N A:PHE153 4.7 17.9 1.0
CZ A:PHE209 4.7 13.7 1.0
CE2 A:PHE209 4.8 13.8 1.0
N A:7H11372 4.8 21.3 0.7
CE1 A:PHE209 4.8 13.8 1.0
CD2 A:PHE209 4.9 13.7 1.0
CB A:ASP101 4.9 33.5 1.0
CD1 A:PHE209 4.9 13.7 1.0
N A:GLY152 4.9 18.1 1.0
F10 A:7H11372 4.9 37.8 0.7
O1 A:7H11372 4.9 20.8 0.7
CG A:PHE209 4.9 13.5 1.0
O2 A:7H11372 5.0 38.9 0.7

Fluorine binding site 6 out of 24 in 5g11

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Fluorine binding site 6 out of 24 in the Pseudomonas Aeruginosa Hdah Bound to Pfsaha.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Pseudomonas Aeruginosa Hdah Bound to Pfsaha. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1372

b:32.0
occ:0.70
F5 A:7H11372 0.0 32.0 0.7
C3 A:7H11372 1.3 31.2 0.7
F4 A:7H11372 2.2 31.1 0.7
C4 A:7H11372 2.2 33.1 0.7
C2 A:7H11372 2.2 29.1 0.7
F9 A:7H11372 2.3 36.6 0.7
F3 A:7H11372 2.4 30.2 0.7
F1 A:7H11372 2.6 27.2 0.7
C5 A:7H11372 2.7 35.4 0.7
F6 A:7H11372 2.7 32.6 0.7
CE2 A:PHE153 2.9 21.9 1.0
C1 A:7H11372 2.9 26.7 0.7
F7 A:7H11372 3.3 34.2 0.7
CD1 A:LEU276 3.3 13.3 1.0
F8 A:7H11372 3.3 35.4 0.7
F2 A:7H11372 3.4 29.6 0.7
CZ A:PHE153 3.5 21.4 1.0
F A:7H11372 3.6 27.6 0.7
CG2 A:THR24 3.8 21.6 1.0
CD2 A:PHE153 3.9 21.5 1.0
C6 A:7H11372 4.0 36.7 0.7
F10 A:7H11372 4.1 37.8 0.7
C A:7H11372 4.2 23.6 0.7
CG A:LEU276 4.4 13.2 1.0
CD2 A:LEU276 4.6 13.3 1.0
O1 A:7H11372 4.6 20.8 0.7
CB A:LEU276 4.7 13.0 1.0
O2 A:7H11372 4.7 38.9 0.7
F11 A:7H11372 4.7 37.5 0.7
CE1 A:PHE153 4.8 21.2 1.0
CB A:THR24 4.8 21.2 1.0
O A:HOH2137 4.9 23.6 1.0
CE1 A:HIS183 4.9 13.2 1.0
C7 A:7H11372 5.0 37.0 0.7

Fluorine binding site 7 out of 24 in 5g11

Go back to Fluorine Binding Sites List in 5g11
Fluorine binding site 7 out of 24 in the Pseudomonas Aeruginosa Hdah Bound to Pfsaha.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Pseudomonas Aeruginosa Hdah Bound to Pfsaha. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1372

b:32.6
occ:0.70
F6 A:7H11372 0.0 32.6 0.7
C4 A:7H11372 1.3 33.1 0.7
F7 A:7H11372 2.2 34.2 0.7
C3 A:7H11372 2.3 31.2 0.7
C5 A:7H11372 2.4 35.4 0.7
F10 A:7H11372 2.5 37.8 0.7
C2 A:7H11372 2.7 29.1 0.7
F5 A:7H11372 2.7 32.0 0.7
C6 A:7H11372 2.8 36.7 0.7
F9 A:7H11372 2.8 36.6 0.7
F3 A:7H11372 3.0 30.2 0.7
F2 A:7H11372 3.0 29.6 0.7
F11 A:7H11372 3.1 37.5 0.7
F4 A:7H11372 3.4 31.1 0.7
F8 A:7H11372 3.4 35.4 0.7
O A:HOH2116 3.9 25.7 1.0
CD1 A:PHE209 4.0 13.7 1.0
CB A:PHE209 4.1 13.5 1.0
NE2 A:HIS183 4.1 13.1 1.0
CG A:PHE209 4.1 13.5 1.0
C1 A:7H11372 4.2 26.7 0.7
C7 A:7H11372 4.2 37.0 0.7
CE1 A:HIS183 4.5 13.2 1.0
CD2 A:HIS183 4.5 13.1 1.0
CZ B:PHE343 4.6 22.7 1.0
F A:7H11372 4.7 27.6 0.7
F1 A:7H11372 4.7 27.2 0.7
O2 A:7H11372 4.7 38.9 0.7
O A:LEU276 4.7 12.2 1.0
CE1 A:PHE209 4.7 13.8 1.0
CD1 A:LEU276 4.9 13.3 1.0
CB A:LEU276 4.9 13.0 1.0
CD2 A:PHE209 4.9 13.7 1.0

Fluorine binding site 8 out of 24 in 5g11

Go back to Fluorine Binding Sites List in 5g11
Fluorine binding site 8 out of 24 in the Pseudomonas Aeruginosa Hdah Bound to Pfsaha.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Pseudomonas Aeruginosa Hdah Bound to Pfsaha. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1372

b:34.2
occ:0.70
F7 A:7H11372 0.0 34.2 0.7
C4 A:7H11372 1.3 33.1 0.7
C3 A:7H11372 2.2 31.2 0.7
F6 A:7H11372 2.2 32.6 0.7
C5 A:7H11372 2.3 35.4 0.7
F4 A:7H11372 2.4 31.1 0.7
F8 A:7H11372 2.5 35.4 0.7
CD1 A:PHE209 2.7 13.7 1.0
F11 A:7H11372 2.7 37.5 0.7
F2 A:7H11372 2.7 29.6 0.7
C2 A:7H11372 2.8 29.1 0.7
CG A:PHE209 2.9 13.5 1.0
CE1 A:PHE209 2.9 13.8 1.0
C6 A:7H11372 3.0 36.7 0.7
F5 A:7H11372 3.3 32.0 0.7
F9 A:7H11372 3.4 36.6 0.7
CD2 A:PHE209 3.4 13.7 1.0
CZ A:PHE209 3.4 13.7 1.0
CE2 A:PHE209 3.6 13.8 1.0
F10 A:7H11372 3.6 37.8 0.7
CB A:PHE209 3.7 13.5 1.0
F A:7H11372 3.7 27.6 0.7
F3 A:7H11372 3.9 30.2 0.7
C1 A:7H11372 3.9 26.7 0.7
C7 A:7H11372 4.3 37.0 0.7
F1 A:7H11372 4.6 27.2 0.7
O2 A:7H11372 4.7 38.9 0.7
CA A:GLY152 4.7 18.1 1.0
CZ B:PHE343 4.9 22.7 1.0

Fluorine binding site 9 out of 24 in 5g11

Go back to Fluorine Binding Sites List in 5g11
Fluorine binding site 9 out of 24 in the Pseudomonas Aeruginosa Hdah Bound to Pfsaha.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Pseudomonas Aeruginosa Hdah Bound to Pfsaha. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1372

b:35.4
occ:0.70
F8 A:7H11372 0.0 35.4 0.7
C5 A:7H11372 1.3 35.4 0.7
F9 A:7H11372 2.2 36.6 0.7
C4 A:7H11372 2.3 33.1 0.7
C6 A:7H11372 2.3 36.7 0.7
F7 A:7H11372 2.5 34.2 0.7
F11 A:7H11372 2.6 37.5 0.7
F4 A:7H11372 2.6 31.1 0.7
O2 A:7H11372 2.7 38.9 0.7
C7 A:7H11372 2.8 37.0 0.7
C3 A:7H11372 2.9 31.2 0.7
F5 A:7H11372 3.3 32.0 0.7
CG A:ASP101 3.4 36.0 1.0
F10 A:7H11372 3.4 37.8 0.7
OD1 A:ASP101 3.4 38.8 1.0
F6 A:7H11372 3.4 32.6 0.7
CB A:ASP101 3.5 33.5 1.0
CZ A:PHE153 3.6 21.4 1.0
OD2 A:ASP101 4.0 36.8 1.0
N1 A:7H11372 4.0 36.3 0.7
CE2 A:PHE153 4.1 21.9 1.0
CE1 A:PHE209 4.1 13.8 1.0
CE1 A:PHE153 4.2 21.2 1.0
C2 A:7H11372 4.3 29.1 0.7
CD1 A:PHE209 4.4 13.7 1.0
CZ A:PHE209 4.6 13.7 1.0
CB A:THR24 4.6 21.2 1.0
CG2 A:THR24 4.7 21.6 1.0
F2 A:7H11372 4.7 29.6 0.7
F A:7H11372 4.8 27.6 0.7
CA A:GLY152 4.8 18.1 1.0
CA A:ASP101 4.9 31.9 1.0
C8 A:7H11372 4.9 35.2 0.7

Fluorine binding site 10 out of 24 in 5g11

Go back to Fluorine Binding Sites List in 5g11
Fluorine binding site 10 out of 24 in the Pseudomonas Aeruginosa Hdah Bound to Pfsaha.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Pseudomonas Aeruginosa Hdah Bound to Pfsaha. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1372

b:36.6
occ:0.70
F9 A:7H11372 0.0 36.6 0.7
C5 A:7H11372 1.3 35.4 0.7
F8 A:7H11372 2.2 35.4 0.7
C6 A:7H11372 2.2 36.7 0.7
F5 A:7H11372 2.3 32.0 0.7
C4 A:7H11372 2.3 33.1 0.7
O2 A:7H11372 2.5 38.9 0.7
F10 A:7H11372 2.6 37.8 0.7
C3 A:7H11372 2.7 31.2 0.7
CG2 A:THR24 2.7 21.6 1.0
C7 A:7H11372 2.8 37.0 0.7
F6 A:7H11372 2.8 32.6 0.7
CB A:THR24 3.2 21.2 1.0
F4 A:7H11372 3.2 31.1 0.7
F11 A:7H11372 3.3 37.5 0.7
F7 A:7H11372 3.4 34.2 0.7
CZ A:PHE153 3.5 21.4 1.0
OG1 A:THR24 3.6 20.7 1.0
CE2 A:PHE153 3.8 21.9 1.0
C2 A:7H11372 4.1 29.1 0.7
N1 A:7H11372 4.1 36.3 0.7
F3 A:7H11372 4.4 30.2 0.7
CE1 A:PHE153 4.6 21.2 1.0
CD1 A:LEU276 4.6 13.3 1.0
CA A:THR24 4.6 21.2 1.0
CD2 A:LEU276 4.7 13.3 1.0
F1 A:7H11372 4.8 27.2 0.7
F2 A:7H11372 4.9 29.6 0.7
OD1 A:ASP101 4.9 38.8 1.0
C1 A:7H11372 5.0 26.7 0.7

Reference:

A.Kramer, T.Wagner, O.Yildiz, F.J.Meyer-Almes. Crystal Structure of A Histone Deacetylase Homologue From Pseudomonas Aeruginosa. Biochemistry V. 55 6858 2016.
ISSN: ISSN 1520-4995
PubMed: 27951649
DOI: 10.1021/ACS.BIOCHEM.6B00613
Page generated: Thu Aug 1 09:31:34 2024

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