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

Other elements in 8sqw:

The structure of Particulate Methane Monooxygenase Crosslinked 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 Crosslinked with 2,2,2- Trifluoroethanol Bound (pdb code 8sqw). 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 Crosslinked with 2,2,2- Trifluoroethanol Bound, PDB code: 8sqw:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 8sqw

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Fluorine binding site 1 out of 9 in the Particulate Methane Monooxygenase Crosslinked 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 Crosslinked 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
OE1 C:GLU176 2.5 37.0 1.0
H22 C:ETF310 2.5 0.5 1.0
H21 C:ETF310 2.5 0.5 1.0
O C:HOH402 2.7 30.0 1.0
OE2 C:GLU176 3.0 37.0 1.0
CD C:GLU176 3.1 37.0 1.0
OD2 C:ASP156 3.3 37.0 1.0
O C:ETF310 3.6 0.5 1.0
CG C:ASP156 3.7 37.0 1.0
CZ C:PHE177 3.7 37.0 1.0
CE1 C:PHE177 3.8 37.0 1.0
O C:HOH401 3.9 30.0 1.0
CB C:ASP156 3.9 37.0 1.0
HO C:ETF310 4.1 0.5 1.0
O C:THR153 4.3 37.0 1.0
NE2 C:HIS173 4.3 38.2 1.0
CG2 C:THR153 4.4 37.0 1.0
OD1 C:ASP156 4.4 37.0 1.0
CG C:GLU176 4.6 37.0 1.0
CD2 C:HIS173 4.7 38.2 1.0
CA C:THR153 4.7 37.0 1.0
CE2 C:PHE177 4.8 37.0 1.0
CD1 C:PHE177 4.9 37.0 1.0
CZ C:PHE240 4.9 35.5 1.0
C C:THR153 5.0 37.0 1.0

Fluorine binding site 2 out of 9 in 8sqw

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Fluorine binding site 2 out of 9 in the Particulate Methane Monooxygenase Crosslinked 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 Crosslinked 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
O C:HOH402 1.9 30.0 1.0
O C:HOH401 1.9 30.0 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
H22 C:ETF310 2.6 0.5 1.0
O C:ETF310 2.8 0.5 1.0
NE2 C:HIS173 2.9 38.2 1.0
H21 C:ETF310 3.2 0.5 1.0
CZ C:PHE177 3.4 37.0 1.0
NE2 C:HIS160 3.6 37.4 1.0
HO C:ETF310 3.6 0.5 1.0
OE1 C:GLU176 3.7 37.0 1.0
CD2 C:HIS173 3.8 38.2 1.0
CE1 C:HIS173 3.8 38.2 1.0
ND2 C:ASN227 3.9 37.5 1.0
CD2 C:HIS160 4.1 37.4 1.0
CU C:CU301 4.1 91.1 1.0
CE2 C:PHE177 4.2 37.0 1.0
CE1 C:PHE177 4.2 37.0 1.0
CG C:ASP156 4.2 37.0 1.0
OD1 C:ASN227 4.2 37.5 1.0
CB C:ASP156 4.4 37.0 1.0
CG C:ASN227 4.4 37.5 1.0
OD2 C:ASP156 4.4 37.0 1.0
OD1 C:ASP156 4.5 37.0 1.0
NH1 C:ARG165 4.5 41.7 1.0
CD C:GLU176 4.7 37.0 1.0
CE1 C:HIS160 4.8 37.4 1.0
CG C:HIS173 4.9 38.2 1.0
ND1 C:HIS173 4.9 38.2 1.0
OE2 C:GLU176 5.0 37.0 1.0
NH2 C:ARG165 5.0 41.7 1.0
NE2 C:HIS231 5.0 38.8 1.0

Fluorine binding site 3 out of 9 in 8sqw

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Fluorine binding site 3 out of 9 in the Particulate Methane Monooxygenase Crosslinked 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 Crosslinked 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
O C:HOH402 2.0 30.0 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
H21 C:ETF310 2.6 0.5 1.0
O C:ETF310 2.8 0.5 1.0
CB C:ASP156 3.1 37.0 1.0
H22 C:ETF310 3.2 0.5 1.0
CE1 C:PHE240 3.2 35.5 1.0
HO C:ETF310 3.4 0.5 1.0
CZ C:PHE240 3.5 35.5 1.0
O C:HOH401 3.6 30.0 1.0
CG C:ASP156 3.6 37.0 1.0
CD2 C:HIS160 3.9 37.4 1.0
OD2 C:ASP156 3.9 37.0 1.0
NE2 C:HIS160 4.0 37.4 1.0
O C:THR153 4.2 37.0 1.0
OD1 C:ASP156 4.3 37.0 1.0
OE1 C:GLU176 4.4 37.0 1.0
CD1 C:PHE240 4.4 35.5 1.0
CU C:CU301 4.4 91.1 1.0
CA C:ASP156 4.5 37.0 1.0
NE2 C:HIS173 4.6 38.2 1.0
C C:ASP156 4.8 37.0 1.0
OE2 C:GLU176 4.8 37.0 1.0
CE2 C:PHE240 4.9 35.5 1.0
NE2 C:HIS245 5.0 36.6 1.0
N C:GLY157 5.0 37.0 1.0

Fluorine binding site 4 out of 9 in 8sqw

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Fluorine binding site 4 out of 9 in the Particulate Methane Monooxygenase Crosslinked 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 Crosslinked with 2,2,2- Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F311

b:0.5
occ:1.00
F1 G:ETF311 0.0 0.5 1.0
C1 G:ETF311 1.3 0.5 1.0
F2 G:ETF311 2.1 0.5 1.0
F3 G:ETF311 2.1 0.5 1.0
C2 G:ETF311 2.3 0.5 1.0
OE1 G:GLU176 2.5 37.0 1.0
H22 G:ETF311 2.5 0.5 1.0
H21 G:ETF311 2.5 0.5 1.0
OE2 G:GLU176 3.0 37.0 1.0
CD G:GLU176 3.1 37.0 1.0
OD2 G:ASP156 3.3 37.0 1.0
O G:ETF311 3.6 0.5 1.0
CG G:ASP156 3.7 37.0 1.0
CZ G:PHE177 3.7 37.0 1.0
CE1 G:PHE177 3.8 37.0 1.0
O G:HOH401 3.9 30.0 1.0
CB G:ASP156 3.9 37.0 1.0
HO G:ETF311 4.1 0.5 1.0
O G:THR153 4.3 37.0 1.0
NE2 G:HIS173 4.3 38.2 1.0
CG2 G:THR153 4.4 37.0 1.0
OD1 G:ASP156 4.4 37.0 1.0
CG G:GLU176 4.6 37.0 1.0
CD2 G:HIS173 4.7 38.2 1.0
CA G:THR153 4.7 37.0 1.0
CE2 G:PHE177 4.8 37.0 1.0
CD1 G:PHE177 4.9 37.0 1.0
CZ G:PHE240 4.9 35.5 1.0
C G:THR153 5.0 37.0 1.0

Fluorine binding site 5 out of 9 in 8sqw

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Fluorine binding site 5 out of 9 in the Particulate Methane Monooxygenase Crosslinked 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 Crosslinked with 2,2,2- Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F311

b:0.5
occ:1.00
F2 G:ETF311 0.0 0.5 1.0
C1 G:ETF311 1.3 0.5 1.0
O G:HOH401 1.9 30.0 1.0
F1 G:ETF311 2.1 0.5 1.0
F3 G:ETF311 2.1 0.5 1.0
C2 G:ETF311 2.3 0.5 1.0
H22 G:ETF311 2.6 0.5 1.0
O G:ETF311 2.8 0.5 1.0
NE2 G:HIS173 2.9 38.2 1.0
H21 G:ETF311 3.2 0.5 1.0
CZ G:PHE177 3.4 37.0 1.0
NE2 G:HIS160 3.6 37.4 1.0
HO G:ETF311 3.6 0.5 1.0
OE1 G:GLU176 3.7 37.0 1.0
CD2 G:HIS173 3.8 38.2 1.0
CE1 G:HIS173 3.8 38.2 1.0
ND2 G:ASN227 3.9 37.5 1.0
CD2 G:HIS160 4.1 37.4 1.0
CU G:CU302 4.1 91.1 1.0
CE2 G:PHE177 4.2 37.0 1.0
CE1 G:PHE177 4.2 37.0 1.0
CG G:ASP156 4.2 37.0 1.0
OD1 G:ASN227 4.2 37.5 1.0
CB G:ASP156 4.4 37.0 1.0
CG G:ASN227 4.4 37.5 1.0
OD2 G:ASP156 4.4 37.0 1.0
OD1 G:ASP156 4.5 37.0 1.0
NH1 G:ARG165 4.5 41.7 1.0
CD G:GLU176 4.7 37.0 1.0
CE1 G:HIS160 4.8 37.4 1.0
CG G:HIS173 4.9 38.2 1.0
ND1 G:HIS173 4.9 38.2 1.0
OE2 G:GLU176 5.0 37.0 1.0
NH2 G:ARG165 5.0 41.7 1.0
NE2 G:HIS231 5.0 38.8 1.0

Fluorine binding site 6 out of 9 in 8sqw

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Fluorine binding site 6 out of 9 in the Particulate Methane Monooxygenase Crosslinked 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 Crosslinked with 2,2,2- Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F311

b:0.5
occ:1.00
F3 G:ETF311 0.0 0.5 1.0
C1 G:ETF311 1.3 0.5 1.0
F1 G:ETF311 2.1 0.5 1.0
F2 G:ETF311 2.1 0.5 1.0
C2 G:ETF311 2.3 0.5 1.0
H21 G:ETF311 2.6 0.5 1.0
O G:ETF311 2.8 0.5 1.0
CB G:ASP156 3.1 37.0 1.0
H22 G:ETF311 3.2 0.5 1.0
CE1 G:PHE240 3.2 35.5 1.0
HO G:ETF311 3.4 0.5 1.0
CZ G:PHE240 3.5 35.5 1.0
O G:HOH401 3.6 30.0 1.0
CG G:ASP156 3.6 37.0 1.0
CD2 G:HIS160 3.9 37.4 1.0
OD2 G:ASP156 3.9 37.0 1.0
NE2 G:HIS160 4.0 37.4 1.0
O G:THR153 4.2 37.0 1.0
OD1 G:ASP156 4.3 37.0 1.0
OE1 G:GLU176 4.4 37.0 1.0
CD1 G:PHE240 4.4 35.5 1.0
CU G:CU302 4.4 91.1 1.0
CA G:ASP156 4.5 37.0 1.0
NE2 G:HIS173 4.6 38.2 1.0
C G:ASP156 4.8 37.0 1.0
OE2 G:GLU176 4.8 37.0 1.0
CE2 G:PHE240 4.9 35.5 1.0
NE2 G:HIS245 5.0 36.6 1.0
N G:GLY157 5.0 37.0 1.0

Fluorine binding site 7 out of 9 in 8sqw

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Fluorine binding site 7 out of 9 in the Particulate Methane Monooxygenase Crosslinked 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 Crosslinked with 2,2,2- Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F311

b:0.5
occ:1.00
F1 K:ETF311 0.0 0.5 1.0
C1 K:ETF311 1.3 0.5 1.0
F3 K:ETF311 2.1 0.5 1.0
F2 K:ETF311 2.1 0.5 1.0
C2 K:ETF311 2.3 0.5 1.0
OE1 K:GLU176 2.5 37.0 1.0
H22 K:ETF311 2.5 0.5 1.0
H21 K:ETF311 2.5 0.5 1.0
OE2 K:GLU176 3.0 37.0 1.0
CD K:GLU176 3.1 37.0 1.0
OD2 K:ASP156 3.3 37.0 1.0
O K:ETF311 3.6 0.5 1.0
CG K:ASP156 3.7 37.0 1.0
CZ K:PHE177 3.7 37.0 1.0
CE1 K:PHE177 3.8 37.0 1.0
O K:HOH401 3.9 30.0 1.0
CB K:ASP156 3.9 37.0 1.0
HO K:ETF311 4.1 0.5 1.0
O K:THR153 4.3 37.0 1.0
NE2 K:HIS173 4.3 38.2 1.0
CG2 K:THR153 4.4 37.0 1.0
OD1 K:ASP156 4.4 37.0 1.0
CG K:GLU176 4.6 37.0 1.0
CD2 K:HIS173 4.7 38.2 1.0
CA K:THR153 4.7 37.0 1.0
CE2 K:PHE177 4.8 37.0 1.0
CD1 K:PHE177 4.9 37.0 1.0
CZ K:PHE240 4.9 35.5 1.0
C K:THR153 5.0 37.0 1.0

Fluorine binding site 8 out of 9 in 8sqw

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Fluorine binding site 8 out of 9 in the Particulate Methane Monooxygenase Crosslinked 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 Crosslinked with 2,2,2- Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F311

b:0.5
occ:1.00
F2 K:ETF311 0.0 0.5 1.0
C1 K:ETF311 1.3 0.5 1.0
O K:HOH401 1.9 30.0 1.0
F1 K:ETF311 2.1 0.5 1.0
F3 K:ETF311 2.1 0.5 1.0
C2 K:ETF311 2.3 0.5 1.0
H22 K:ETF311 2.6 0.5 1.0
O K:ETF311 2.8 0.5 1.0
NE2 K:HIS173 2.9 38.2 1.0
H21 K:ETF311 3.2 0.5 1.0
CZ K:PHE177 3.4 37.0 1.0
NE2 K:HIS160 3.6 37.4 1.0
HO K:ETF311 3.6 0.5 1.0
OE1 K:GLU176 3.7 37.0 1.0
CD2 K:HIS173 3.8 38.2 1.0
CE1 K:HIS173 3.8 38.2 1.0
ND2 K:ASN227 3.9 37.5 1.0
CD2 K:HIS160 4.1 37.4 1.0
CU K:CU302 4.1 91.1 1.0
CE2 K:PHE177 4.2 37.0 1.0
CE1 K:PHE177 4.2 37.0 1.0
CG K:ASP156 4.2 37.0 1.0
OD1 K:ASN227 4.2 37.5 1.0
CB K:ASP156 4.4 37.0 1.0
CG K:ASN227 4.4 37.5 1.0
OD2 K:ASP156 4.4 37.0 1.0
OD1 K:ASP156 4.5 37.0 1.0
NH1 K:ARG165 4.5 41.7 1.0
CD K:GLU176 4.7 37.0 1.0
CE1 K:HIS160 4.8 37.4 1.0
CG K:HIS173 4.9 38.2 1.0
ND1 K:HIS173 4.9 38.2 1.0
OE2 K:GLU176 5.0 37.0 1.0
NH2 K:ARG165 5.0 41.7 1.0
NE2 K:HIS231 5.0 38.8 1.0

Fluorine binding site 9 out of 9 in 8sqw

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Fluorine binding site 9 out of 9 in the Particulate Methane Monooxygenase Crosslinked 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 Crosslinked with 2,2,2- Trifluoroethanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F311

b:0.5
occ:1.00
F3 K:ETF311 0.0 0.5 1.0
C1 K:ETF311 1.3 0.5 1.0
F1 K:ETF311 2.1 0.5 1.0
F2 K:ETF311 2.1 0.5 1.0
C2 K:ETF311 2.3 0.5 1.0
H21 K:ETF311 2.6 0.5 1.0
O K:ETF311 2.8 0.5 1.0
CB K:ASP156 3.1 37.0 1.0
H22 K:ETF311 3.2 0.5 1.0
CE1 K:PHE240 3.2 35.5 1.0
HO K:ETF311 3.4 0.5 1.0
CZ K:PHE240 3.5 35.5 1.0
O K:HOH401 3.6 30.0 1.0
CG K:ASP156 3.6 37.0 1.0
CD2 K:HIS160 3.9 37.4 1.0
OD2 K:ASP156 3.9 37.0 1.0
NE2 K:HIS160 4.0 37.4 1.0
O K:THR153 4.2 37.0 1.0
OD1 K:ASP156 4.3 37.0 1.0
OE1 K:GLU176 4.4 37.0 1.0
CD1 K:PHE240 4.4 35.5 1.0
CU K:CU302 4.4 91.1 1.0
CA K:ASP156 4.5 37.0 1.0
NE2 K:HIS173 4.6 38.2 1.0
C K:ASP156 4.8 37.0 1.0
OE2 K:GLU176 4.8 37.0 1.0
CE2 K:PHE240 4.9 35.5 1.0
NE2 K:HIS245 5.0 36.6 1.0
N K:GLY157 5.0 37.0 1.0

Reference:

F.J.Tucci, R.J.Jodts, B.M.Hoffman, A.C.Rosenzweig. Product Analogue Binding Identifies the Copper Active Site of Particulate Methane Monooyxgenase Nat Catal 2023.
ISSN: ESSN 2520-1158
Page generated: Thu Dec 28 04:49:06 2023

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