Fluorine in PDB 8oyi: Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound

Enzymatic activity of Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound

All present enzymatic activity of Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound:
1.14.18.3;

Other elements in 8oyi:

The structure of Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound also contains other interesting chemical elements:

Copper (Cu) 9 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound (pdb code 8oyi). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound, PDB code: 8oyi:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 8oyi

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Fluorine binding site 1 out of 9 in the Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F310

b:0.5
occ:1.00
 F1 C:ETF310 0.0 0.5 1.0
C1 C:ETF310 1.3 0.5 1.0
F3 C:ETF310 2.1 0.5 1.0
F2 C:ETF310 2.1 0.5 1.0
C2 C:ETF310 2.3 0.5 1.0
H21 C:ETF310 2.6 0.5 1.0
H22 C:ETF310 2.6 0.5 1.0
OE2 C:GLU176 2.9 37.0 1.0
OD2 C:ASP156 3.2 37.0 1.0
OE1 C:GLU176 3.3 37.0 1.0
CG2 C:THR153 3.3 37.0 1.0
O C:THR153 3.3 37.0 1.0
O C:ETF310 3.5 0.5 1.0
CD C:GLU176 3.5 37.0 1.0
CB C:ASP156 3.7 37.0 1.0
CG C:ASP156 3.7 37.0 1.0
CA C:THR153 3.9 37.0 1.0
CZ C:PHE240 4.0 35.5 1.0
C C:THR153 4.0 37.0 1.0
HO C:ETF310 4.2 0.5 1.0
CB C:THR153 4.2 37.0 1.0
CE1 C:PHE240 4.4 35.5 1.0
OD1 C:ASP156 4.8 37.0 1.0
CE1 C:PHE177 4.8 37.0 1.0
CE2 C:PHE248 4.8 35.7 1.0
OH C:TYR181 4.9 37.0 1.0
O C:HOH401 4.9 30.0 1.0
OG1 C:THR153 4.9 37.0 1.0
CE2 C:PHE240 4.9 35.5 1.0
N C:GLY157 4.9 37.0 1.0
CZ C:PHE177 4.9 37.0 1.0
CG C:GLU176 5.0 37.0 1.0
CA C:ASP156 5.0 37.0 1.0

Fluorine binding site 2 out of 9 in 8oyi

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Fluorine binding site 2 out of 9 in the Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F310

b:0.5
occ:1.00
 F2 C:ETF310 0.0 0.5 1.0
C1 C:ETF310 1.3 0.5 1.0
F1 C:ETF310 2.1 0.5 1.0
F3 C:ETF310 2.1 0.5 1.0
C2 C:ETF310 2.3 0.5 1.0
OD2 C:ASP156 2.4 37.0 1.0
H22 C:ETF310 2.6 0.5 1.0
O C:ETF310 2.7 0.5 1.0
O C:HOH401 2.8 30.0 1.0
OE1 C:GLU176 3.2 37.0 1.0
H21 C:ETF310 3.2 0.5 1.0
CG C:ASP156 3.3 37.0 1.0
HO C:ETF310 3.6 0.5 1.0
CZ C:PHE177 3.6 37.0 1.0
NE2 C:HIS173 3.8 38.2 1.0
OD1 C:ASP156 4.1 37.0 1.0
CB C:ASP156 4.1 37.0 1.0
CD C:GLU176 4.1 37.0 1.0
CE1 C:PHE177 4.1 37.0 1.0
OE2 C:GLU176 4.1 37.0 1.0
NE2 C:HIS160 4.2 37.4 1.0
CD2 C:HIS160 4.3 37.4 1.0
CD2 C:HIS173 4.3 38.2 1.0
CU C:CU301 4.3 91.1 1.0
ND2 C:ASN227 4.6 37.5 1.0
CE2 C:PHE177 4.6 37.0 1.0
OD1 C:ASN227 4.6 37.5 1.0
CZ C:PHE248 4.8 35.7 1.0
CE1 C:PHE240 4.9 35.5 1.0
CG C:ASN227 4.9 37.5 1.0
CE1 C:HIS173 5.0 38.2 1.0

Fluorine binding site 3 out of 9 in 8oyi

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Fluorine binding site 3 out of 9 in the Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F310

b:0.5
occ:1.00
 F3 C:ETF310 0.0 0.5 1.0
C1 C:ETF310 1.3 0.5 1.0
F1 C:ETF310 2.1 0.5 1.0
F2 C:ETF310 2.1 0.5 1.0
C2 C:ETF310 2.3 0.5 1.0
OD2 C:ASP156 2.4 37.0 1.0
H21 C:ETF310 2.6 0.5 1.0
O C:ETF310 2.7 0.5 1.0
CE1 C:PHE240 2.8 35.5 1.0
CZ C:PHE240 3.0 35.5 1.0
H22 C:ETF310 3.2 0.5 1.0
CG C:ASP156 3.4 37.0 1.0
HO C:ETF310 3.6 0.5 1.0
CB C:ASP156 3.7 37.0 1.0
CD1 C:PHE240 3.9 35.5 1.0
O C:THR153 3.9 37.0 1.0
N C:GLY157 4.0 37.0 1.0
CD2 C:HIS160 4.1 37.4 1.0
O C:HOH401 4.1 30.0 1.0
CE2 C:PHE240 4.2 35.5 1.0
C C:ASP156 4.3 37.0 1.0
CA C:GLY157 4.4 37.0 1.0
CU C:CU301 4.5 91.1 1.0
OD1 C:ASP156 4.5 37.0 1.0
NE2 C:HIS160 4.6 37.4 1.0
CA C:ASP156 4.7 37.0 1.0
OE1 C:GLU176 4.7 37.0 1.0
O C:ASP156 4.8 37.0 1.0
NE2 C:HIS245 4.9 36.6 1.0
CG C:PHE240 4.9 35.5 1.0
OE2 C:GLU176 4.9 37.0 1.0

Fluorine binding site 4 out of 9 in 8oyi

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Fluorine binding site 4 out of 9 in the Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F310

b:0.5
occ:1.00
 F1 G:ETF310 0.0 0.5 1.0
C1 G:ETF310 1.3 0.5 1.0
F3 G:ETF310 2.1 0.5 1.0
F2 G:ETF310 2.1 0.5 1.0
C2 G:ETF310 2.3 0.5 1.0
H21 G:ETF310 2.6 0.5 1.0
H22 G:ETF310 2.6 0.5 1.0
OE2 G:GLU176 2.9 37.0 1.0
OD2 G:ASP156 3.2 37.0 1.0
OE1 G:GLU176 3.3 37.0 1.0
CG2 G:THR153 3.3 37.0 1.0
O G:THR153 3.3 37.0 1.0
O G:ETF310 3.5 0.5 1.0
CD G:GLU176 3.5 37.0 1.0
CB G:ASP156 3.7 37.0 1.0
CG G:ASP156 3.7 37.0 1.0
CA G:THR153 3.9 37.0 1.0
CZ G:PHE240 4.0 35.5 1.0
C G:THR153 4.0 37.0 1.0
HO G:ETF310 4.2 0.5 1.0
CB G:THR153 4.2 37.0 1.0
CE1 G:PHE240 4.4 35.5 1.0
OD1 G:ASP156 4.8 37.0 1.0
CE1 G:PHE177 4.8 37.0 1.0
CE2 G:PHE248 4.8 35.7 1.0
OH G:TYR181 4.9 37.0 1.0
O G:HOH401 4.9 30.0 1.0
CE2 G:PHE240 4.9 35.5 1.0
OG1 G:THR153 4.9 37.0 1.0
N G:GLY157 4.9 37.0 1.0
CZ G:PHE177 4.9 37.0 1.0
CG G:GLU176 5.0 37.0 1.0
CA G:ASP156 5.0 37.0 1.0

Fluorine binding site 5 out of 9 in 8oyi

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Fluorine binding site 5 out of 9 in the Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F310

b:0.5
occ:1.00
 F2 G:ETF310 0.0 0.5 1.0
C1 G:ETF310 1.3 0.5 1.0
F1 G:ETF310 2.1 0.5 1.0
F3 G:ETF310 2.1 0.5 1.0
C2 G:ETF310 2.3 0.5 1.0
OD2 G:ASP156 2.4 37.0 1.0
H22 G:ETF310 2.6 0.5 1.0
O G:ETF310 2.7 0.5 1.0
O G:HOH401 2.8 30.0 1.0
OE1 G:GLU176 3.2 37.0 1.0
H21 G:ETF310 3.2 0.5 1.0
CG G:ASP156 3.3 37.0 1.0
HO G:ETF310 3.6 0.5 1.0
CZ G:PHE177 3.6 37.0 1.0
NE2 G:HIS173 3.8 38.2 1.0
OD1 G:ASP156 4.1 37.0 1.0
CB G:ASP156 4.1 37.0 1.0
CD G:GLU176 4.1 37.0 1.0
CE1 G:PHE177 4.1 37.0 1.0
OE2 G:GLU176 4.1 37.0 1.0
NE2 G:HIS160 4.2 37.4 1.0
CD2 G:HIS160 4.3 37.4 1.0
CD2 G:HIS173 4.3 38.2 1.0
CU G:CU301 4.3 91.1 1.0
ND2 G:ASN227 4.6 37.5 1.0
CE2 G:PHE177 4.6 37.0 1.0
OD1 G:ASN227 4.6 37.5 1.0
CZ G:PHE248 4.8 35.7 1.0
CE1 G:PHE240 4.9 35.5 1.0
CG G:ASN227 4.9 37.5 1.0
CE1 G:HIS173 5.0 38.2 1.0

Fluorine binding site 6 out of 9 in 8oyi

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Fluorine binding site 6 out of 9 in the Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F310

b:0.5
occ:1.00
 F3 G:ETF310 0.0 0.5 1.0
C1 G:ETF310 1.3 0.5 1.0
F1 G:ETF310 2.1 0.5 1.0
F2 G:ETF310 2.1 0.5 1.0
C2 G:ETF310 2.3 0.5 1.0
OD2 G:ASP156 2.4 37.0 1.0
H21 G:ETF310 2.6 0.5 1.0
O G:ETF310 2.7 0.5 1.0
CE1 G:PHE240 2.8 35.5 1.0
CZ G:PHE240 3.0 35.5 1.0
H22 G:ETF310 3.2 0.5 1.0
CG G:ASP156 3.4 37.0 1.0
HO G:ETF310 3.6 0.5 1.0
CB G:ASP156 3.7 37.0 1.0
CD1 G:PHE240 3.9 35.5 1.0
O G:THR153 3.9 37.0 1.0
N G:GLY157 4.0 37.0 1.0
CD2 G:HIS160 4.1 37.4 1.0
O G:HOH401 4.1 30.0 1.0
CE2 G:PHE240 4.2 35.5 1.0
C G:ASP156 4.3 37.0 1.0
CA G:GLY157 4.4 37.0 1.0
CU G:CU301 4.5 91.1 1.0
OD1 G:ASP156 4.5 37.0 1.0
NE2 G:HIS160 4.6 37.4 1.0
CA G:ASP156 4.7 37.0 1.0
OE1 G:GLU176 4.7 37.0 1.0
O G:ASP156 4.8 37.0 1.0
NE2 G:HIS245 4.9 36.6 1.0
CG G:PHE240 4.9 35.5 1.0
OE2 G:GLU176 4.9 37.0 1.0

Fluorine binding site 7 out of 9 in 8oyi

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Fluorine binding site 7 out of 9 in the Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F310

b:0.5
occ:1.00
 F1 K:ETF310 0.0 0.5 1.0
C1 K:ETF310 1.3 0.5 1.0
F3 K:ETF310 2.1 0.5 1.0
F2 K:ETF310 2.1 0.5 1.0
C2 K:ETF310 2.3 0.5 1.0
H21 K:ETF310 2.6 0.5 1.0
H22 K:ETF310 2.6 0.5 1.0
OE2 K:GLU176 2.9 37.0 1.0
OD2 K:ASP156 3.2 37.0 1.0
OE1 K:GLU176 3.3 37.0 1.0
CG2 K:THR153 3.3 37.0 1.0
O K:THR153 3.3 37.0 1.0
O K:ETF310 3.5 0.5 1.0
CD K:GLU176 3.5 37.0 1.0
CB K:ASP156 3.7 37.0 1.0
CG K:ASP156 3.7 37.0 1.0
CA K:THR153 3.9 37.0 1.0
CZ K:PHE240 4.0 35.5 1.0
C K:THR153 4.0 37.0 1.0
HO K:ETF310 4.2 0.5 1.0
CB K:THR153 4.2 37.0 1.0
CE1 K:PHE240 4.4 35.5 1.0
OD1 K:ASP156 4.8 37.0 1.0
CE1 K:PHE177 4.8 37.0 1.0
CE2 K:PHE248 4.8 35.7 1.0
OH K:TYR181 4.9 37.0 1.0
O K:HOH401 4.9 30.0 1.0
OG1 K:THR153 4.9 37.0 1.0
CE2 K:PHE240 4.9 35.5 1.0
N K:GLY157 4.9 37.0 1.0
CZ K:PHE177 4.9 37.0 1.0
CG K:GLU176 5.0 37.0 1.0
CA K:ASP156 5.0 37.0 1.0

Fluorine binding site 8 out of 9 in 8oyi

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Fluorine binding site 8 out of 9 in the Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F310

b:0.5
occ:1.00
 F2 K:ETF310 0.0 0.5 1.0
C1 K:ETF310 1.3 0.5 1.0
F1 K:ETF310 2.1 0.5 1.0
F3 K:ETF310 2.1 0.5 1.0
C2 K:ETF310 2.3 0.5 1.0
OD2 K:ASP156 2.4 37.0 1.0
H22 K:ETF310 2.6 0.5 1.0
O K:ETF310 2.7 0.5 1.0
O K:HOH401 2.8 30.0 1.0
OE1 K:GLU176 3.2 37.0 1.0
H21 K:ETF310 3.2 0.5 1.0
CG K:ASP156 3.3 37.0 1.0
HO K:ETF310 3.6 0.5 1.0
CZ K:PHE177 3.6 37.0 1.0
NE2 K:HIS173 3.8 38.2 1.0
OD1 K:ASP156 4.1 37.0 1.0
CB K:ASP156 4.1 37.0 1.0
CD K:GLU176 4.1 37.0 1.0
CE1 K:PHE177 4.1 37.0 1.0
OE2 K:GLU176 4.1 37.0 1.0
NE2 K:HIS160 4.2 37.4 1.0
CD2 K:HIS160 4.3 37.4 1.0
CD2 K:HIS173 4.3 38.2 1.0
CU K:CU301 4.3 91.1 1.0
ND2 K:ASN227 4.6 37.5 1.0
CE2 K:PHE177 4.6 37.0 1.0
OD1 K:ASN227 4.6 37.5 1.0
CZ K:PHE248 4.8 35.7 1.0
CE1 K:PHE240 4.9 35.5 1.0
CG K:ASN227 4.9 37.5 1.0
CE1 K:HIS173 5.0 38.2 1.0

Fluorine binding site 9 out of 9 in 8oyi

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Fluorine binding site 9 out of 9 in the Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Particulate Methane Monooxygenase with 2,2,2-Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F310

b:0.5
occ:1.00
 F3 K:ETF310 0.0 0.5 1.0
C1 K:ETF310 1.3 0.5 1.0
F1 K:ETF310 2.1 0.5 1.0
F2 K:ETF310 2.1 0.5 1.0
C2 K:ETF310 2.3 0.5 1.0
OD2 K:ASP156 2.4 37.0 1.0
H21 K:ETF310 2.6 0.5 1.0
O K:ETF310 2.7 0.5 1.0
CE1 K:PHE240 2.8 35.5 1.0
CZ K:PHE240 3.0 35.5 1.0
H22 K:ETF310 3.2 0.5 1.0
CG K:ASP156 3.4 37.0 1.0
HO K:ETF310 3.6 0.5 1.0
CB K:ASP156 3.7 37.0 1.0
CD1 K:PHE240 3.9 35.5 1.0
O K:THR153 3.9 37.0 1.0
N K:GLY157 3.9 37.0 1.0
CD2 K:HIS160 4.1 37.4 1.0
O K:HOH401 4.1 30.0 1.0
CE2 K:PHE240 4.2 35.5 1.0
C K:ASP156 4.3 37.0 1.0
CA K:GLY157 4.4 37.0 1.0
CU K:CU301 4.5 91.1 1.0
OD1 K:ASP156 4.5 37.0 1.0
NE2 K:HIS160 4.6 37.4 1.0
CA K:ASP156 4.7 37.0 1.0
OE1 K:GLU176 4.7 37.0 1.0
O K:ASP156 4.8 37.0 1.0
NE2 K:HIS245 4.9 36.6 1.0
CG K:PHE240 4.9 35.5 1.0
OE2 K:GLU176 4.9 37.0 1.0

Reference:

F.J.Tucci, A.C.Rosenzweig. Product Analogue Binding Identifies the Copper Active Site of Particulate Methane Monooxygenase Nat Catal 2023.
ISSN: ESSN 2520-1158
DOI: 10.1038/S41929-023-01051-X
Page generated: Fri Aug 2 21:19:18 2024

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