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

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

Copper

(Cu)

9 atoms

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 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 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 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 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 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 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 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 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 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

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