Fluorine in PDB 8phl: Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine

Enzymatic activity of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine

All present enzymatic activity of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine:
4.2.1.1; 4.2.1.69;

Protein crystallography data

The structure of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine, PDB code: 8phl was solved by L.B.T.Pham, A.Costantino, L.Barbieri, V.Calderone, E.Luchinat, L.Banci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.50 / 1.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.82, 40.9, 70.87, 90, 104.73, 90
R / Rfree (%) 17.8 / 19.4

Other elements in 8phl:

The structure of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Mercury (Hg) 1 atom

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine (pdb code 8phl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine, PDB code: 8phl:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 8phl

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Fluorine binding site 1 out of 12 in the Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F20

b:18.7
occ:0.48
 F A:PFF20 0.0 18.7 0.5
CZ A:PFF20 1.4 17.9 1.0
CE1 A:PFF20 2.3 17.7 1.0
CE2 A:PFF20 2.4 18.0 1.0
O A:HOH579 3.6 30.8 1.0
CD1 A:PFF20 3.6 15.8 1.0
CD2 A:PFF20 3.6 17.2 1.0
CD1 A:TRP5 3.9 15.2 1.0
CB A:PRO201 4.0 12.3 1.0
CG A:PFF20 4.1 14.9 1.0
NE1 A:TRP5 4.4 14.7 1.0
CB A:ASP19 4.7 17.4 1.0
CG A:TRP5 4.9 14.5 1.0
OD2 A:ASP19 4.9 23.2 1.0
CG A:PRO201 4.9 12.5 1.0

Fluorine binding site 2 out of 12 in 8phl

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Fluorine binding site 2 out of 12 in the Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F66

b:17.7
occ:0.45
 F A:PFF66 0.0 17.7 0.5
CZ A:PFF66 1.4 13.0 1.0
CE1 A:PFF66 2.3 12.1 1.0
CE2 A:PFF66 2.4 12.6 1.0
CE1 A:PFF95 3.1 9.3 1.0
CD1 A:PFF95 3.1 9.0 1.0
CZ A:PFF226 3.2 16.4 1.0
CE2 A:PFF226 3.2 14.5 1.0
CG1 A:VAL160 3.3 15.4 1.0
F A:PFF226 3.4 20.5 0.4
CD1 A:PFF66 3.6 11.8 1.0
CD2 A:PFF66 3.6 12.3 1.0
CD2 A:PFF226 3.9 13.2 1.0
CE1 A:PFF226 3.9 14.9 1.0
CZ A:PFF95 4.1 9.3 1.0
CG A:PFF66 4.1 11.9 1.0
CG A:PFF95 4.1 8.4 1.0
CD1 A:PFF226 4.4 14.5 1.0
O A:HOH422 4.4 9.8 1.0
CG A:PFF226 4.4 11.9 1.0
CD1 A:LEU164 4.6 13.2 1.0
CB A:VAL160 4.6 13.9 1.0
CD2 A:LEU164 4.6 13.0 1.0
F A:PFF95 4.7 10.2 0.4
CD1 A:LEU157 4.8 13.3 1.0
CB A:PFF95 4.8 8.4 1.0
CD2 A:PFF95 4.9 8.3 1.0
CE2 A:PFF95 4.9 9.1 1.0

Fluorine binding site 3 out of 12 in 8phl

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Fluorine binding site 3 out of 12 in the Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F70

b:11.1
occ:0.48
 F A:PFF70 0.0 11.1 0.5
CZ A:PFF70 1.3 11.4 1.0
CE1 A:PFF70 2.3 11.5 1.0
CE2 A:PFF70 2.4 11.4 1.0
CE2 A:PFF93 3.1 11.8 1.0
CG A:PRO181 3.5 12.3 1.0
CD A:PRO181 3.5 10.8 1.0
CD1 A:PFF179 3.6 11.9 1.0
CD1 A:PFF70 3.6 11.4 1.0
CD2 A:PFF70 3.6 11.5 1.0
CD2 A:PFF93 3.6 10.3 1.0
CB A:PRO181 3.6 12.5 1.0
O A:PFF179 4.0 12.8 1.0
CG1 A:VAL68 4.0 14.7 1.0
CG A:PFF70 4.1 10.8 1.0
CE1 A:PFF179 4.2 11.9 1.0
N A:PRO181 4.3 11.0 1.0
CZ A:PFF93 4.3 12.8 1.0
CB A:SER56 4.4 15.5 1.0
CA A:PRO181 4.5 11.0 1.0
CD2 A:LEU90 4.5 10.9 1.0
CG A:PFF179 4.6 12.4 1.0
F A:PFF93 4.7 14.3 0.4
C A:PFF179 4.7 11.5 1.0
CB A:PFF179 4.8 12.6 1.0
CG A:PFF93 5.0 9.8 1.0

Fluorine binding site 4 out of 12 in 8phl

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Fluorine binding site 4 out of 12 in the Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F93

b:14.3
occ:0.43
 F A:PFF93 0.0 14.3 0.4
CZ A:PFF93 1.4 12.8 1.0
CE1 A:PFF93 2.3 12.8 1.0
CE2 A:PFF93 2.4 11.8 1.0
CE1 A:PFF179 2.9 11.9 1.0
CG2 A:VAL160 3.1 15.7 1.0
CD1 A:PFF179 3.2 11.9 1.0
CZ A:PFF179 3.4 13.3 1.0
CG2 A:VAL68 3.4 16.6 1.0
CD2 A:PFF93 3.6 10.3 1.0
CD1 A:PFF93 3.6 11.1 1.0
CB A:VAL68 3.9 15.1 1.0
F A:PFF179 3.9 14.3 0.4
CG1 A:VAL68 3.9 14.7 1.0
CD1 A:LEU184 4.0 12.9 1.0
CG A:PFF179 4.0 12.4 1.0
CG A:PFF93 4.1 9.8 1.0
CE2 A:PFF179 4.2 12.8 1.0
CD2 A:PFF179 4.4 13.3 1.0
CB A:VAL160 4.4 13.9 1.0
CE1 A:PFF176 4.5 19.0 1.0
CG1 A:VAL160 4.6 15.4 1.0
F A:PFF70 4.7 11.1 0.5
F A:PFF95 4.8 10.2 0.4
F A:PFF176 4.9 19.7 0.4

Fluorine binding site 5 out of 12 in 8phl

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Fluorine binding site 5 out of 12 in the Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F95

b:10.2
occ:0.37
 F A:PFF95 0.0 10.2 0.4
CZ A:PFF95 1.4 9.3 1.0
CE1 A:PFF95 2.3 9.3 1.0
CE2 A:PFF95 2.4 9.1 1.0
CD1 A:LEU157 3.1 13.3 1.0
CD1 A:LEU184 3.4 12.9 1.0
CD1 A:PFF95 3.6 9.0 1.0
CD2 A:PFF95 3.6 8.3 1.0
F A:PFF226 3.8 20.5 0.4
CD2 A:LEU184 3.8 13.4 1.0
CE1 A:PFF93 3.9 12.8 1.0
CD1 A:LEU118 4.0 9.3 1.0
CG A:PFF95 4.1 8.4 1.0
CG A:LEU184 4.2 12.7 1.0
CD1 A:PFF93 4.4 11.1 1.0
CG A:LEU157 4.4 12.3 1.0
CD2 A:LEU118 4.5 9.1 1.0
CZ A:PFF93 4.7 12.8 1.0
F A:PFF66 4.7 17.7 0.5
CG A:LEU118 4.7 8.3 1.0
CD2 A:LEU157 4.8 13.2 1.0
F A:PFF93 4.8 14.3 0.4
CB A:LEU184 4.9 12.7 1.0
CB A:LEU118 5.0 7.5 1.0

Fluorine binding site 6 out of 12 in 8phl

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Fluorine binding site 6 out of 12 in the Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F131

b:14.2
occ:0.49
 F A:PFF131 0.0 14.2 0.5
CZ A:PFF131 1.4 13.1 1.0
CE1 A:PFF131 2.3 12.4 1.0
CE2 A:PFF131 2.3 13.8 1.0
CD2 A:PFF131 3.6 12.5 1.0
CD1 A:PFF131 3.6 11.5 1.0
CG1 A:VAL135 3.7 17.5 1.0
CG A:PFF131 4.1 11.7 1.0
CD1 A:LEU141 4.2 10.4 1.0
CD2 A:LEU198 4.3 14.0 1.0
CD1 A:LEU198 4.7 13.6 1.0
CB A:VAL135 4.9 18.2 1.0

Fluorine binding site 7 out of 12 in 8phl

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Fluorine binding site 7 out of 12 in the Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F147

b:8.5
occ:0.27
 F A:PFF147 0.0 8.5 0.3
CZ A:PFF147 1.4 8.1 1.0
CE1 A:PFF147 2.3 8.7 1.0
CE2 A:PFF147 2.4 8.6 1.0
CB A:HIS107 3.0 7.5 1.0
CG2 A:VAL109 3.3 10.5 1.0
C A:HIS107 3.5 7.2 1.0
CD1 A:PFF147 3.6 8.5 1.0
CD2 A:PFF147 3.6 7.7 1.0
CG1 A:VAL211 3.6 8.6 1.0
O A:HIS107 3.7 8.0 1.0
CD1 A:ILE33 3.7 11.3 1.0
N A:THR108 3.7 8.2 1.0
CA A:HIS107 3.8 7.6 1.0
O A:THR108 3.9 10.4 1.0
C A:THR108 4.0 8.8 1.0
CG A:PFF147 4.1 8.0 1.0
CA A:THR108 4.1 7.7 1.0
CG A:HIS107 4.2 7.3 1.0
N A:VAL109 4.5 9.8 1.0
CB A:VAL109 4.7 10.9 1.0
CG1 A:ILE33 4.8 11.8 1.0
N A:HIS107 4.8 7.6 1.0
CB A:VAL211 4.9 8.7 1.0
CA A:VAL109 4.9 10.2 1.0
OE1 A:GLU117 4.9 7.9 1.0

Fluorine binding site 8 out of 12 in 8phl

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Fluorine binding site 8 out of 12 in the Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F176

b:19.7
occ:0.36
 F A:PFF176 0.0 19.7 0.4
CZ A:PFF176 1.4 19.4 1.0
CE1 A:PFF176 2.3 19.0 1.0
CE2 A:PFF176 2.4 19.3 1.0
N A:VAL160 2.9 12.7 1.0
C A:LYS159 3.0 14.1 1.0
CG2 A:VAL160 3.1 15.7 1.0
CA A:VAL160 3.1 13.4 1.0
CD2 A:PFF179 3.2 13.3 1.0
O A:LYS159 3.2 15.3 1.0
CB A:LYS159 3.5 18.3 1.0
CD1 A:PFF176 3.6 18.4 1.0
CD2 A:PFF176 3.6 18.9 1.0
CE2 A:PFF179 3.7 12.8 1.0
CB A:VAL160 3.7 13.9 1.0
CG A:PFF179 3.8 12.4 1.0
CA A:LYS159 3.8 14.4 1.0
CG A:PFF176 4.1 17.7 1.0
CB A:PFF179 4.2 12.6 1.0
C A:VAL160 4.5 13.8 1.0
CZ A:PFF179 4.6 13.3 1.0
O A:HOH534 4.6 25.8 1.0
CD1 A:PFF179 4.7 11.9 1.0
CG1 A:VAL160 4.7 15.4 1.0
N A:LYS159 4.8 14.6 1.0
CG1 A:VAL163 4.9 16.4 1.0
F A:PFF93 4.9 14.3 0.4
CG A:LYS159 4.9 23.8 1.0
O A:HOH481 5.0 26.6 1.0
O A:VAL160 5.0 13.6 1.0

Fluorine binding site 9 out of 12 in 8phl

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Fluorine binding site 9 out of 12 in the Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F179

b:14.3
occ:0.42
 F A:PFF179 0.0 14.3 0.4
CZ A:PFF179 1.4 13.3 1.0
CE2 A:PFF179 2.3 12.8 1.0
CE1 A:PFF179 2.4 11.9 1.0
O A:GLY156 2.7 18.5 1.0
CG A:LEU184 3.1 12.7 1.0
CD2 A:LEU184 3.2 13.4 1.0
CD1 A:LEU184 3.2 12.9 1.0
O A:HOH471 3.6 21.3 1.0
CD2 A:PFF179 3.6 13.3 1.0
CD1 A:PFF179 3.6 11.9 1.0
C A:GLY156 3.7 15.0 1.0
F A:PFF93 3.9 14.3 0.4
CG2 A:VAL160 4.0 15.7 1.0
CA A:LEU157 4.0 12.5 1.0
CG A:PFF179 4.1 12.4 1.0
O A:ASP180 4.2 12.6 1.0
N A:LEU157 4.2 14.0 1.0
CB A:LEU184 4.6 12.7 1.0
CZ A:PFF93 4.7 12.8 1.0
CA A:GLY156 4.7 15.3 1.0
CA A:PRO181 4.8 11.0 1.0
C A:LEU157 4.8 12.4 1.0
CD1 A:LEU157 4.9 13.3 1.0
C A:ASP180 4.9 11.9 1.0
NZ A:LYS159 4.9 33.8 1.0
N A:LEU184 4.9 11.8 1.0

Fluorine binding site 10 out of 12 in 8phl

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Fluorine binding site 10 out of 12 in the Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Human Carbonic Anhydrase II Containing 4-Fluorophenylalanine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F226

b:20.5
occ:0.36
 F A:PFF226 0.0 20.5 0.4
CZ A:PFF226 1.4 16.4 1.0
CE1 A:PFF226 2.3 14.9 1.0
CE2 A:PFF226 2.4 14.5 1.0
CZ A:PFF95 3.2 9.3 1.0
CD1 A:LEU157 3.3 13.3 1.0
CE2 A:PFF95 3.4 9.1 1.0
F A:PFF66 3.4 17.7 0.5
CD2 A:LEU157 3.4 13.2 1.0
CE1 A:PFF95 3.4 9.3 1.0
CD1 A:PFF226 3.6 14.5 1.0
CD2 A:PFF226 3.6 13.2 1.0
CD2 A:PFF95 3.6 8.3 1.0
CD1 A:PFF95 3.8 9.0 1.0
F A:PFF95 3.8 10.2 0.4
CG A:PFF95 3.9 8.4 1.0
CG A:LEU157 3.9 12.3 1.0
CG A:PFF226 4.1 11.9 1.0
CD2 A:LEU148 4.2 8.1 1.0
CZ A:PFF66 4.6 13.0 1.0
CB A:PFF95 4.8 8.4 1.0

Reference:

A.Costantino, L.B.T.Pham, L.Barbieri, V.Calderone, G.Ben-Nissan, M.Sharon, L.Banci, E.Luchinat. Controlling the Incorporation of Fluorinated Amino Acids in Human Cells and Its Structural Impact. Protein Sci. V. 33 E4910 2024.
ISSN: ESSN 1469-896X
PubMed: 38358125
DOI: 10.1002/PRO.4910
Page generated: Fri Aug 2 22:09:12 2024

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