Chlorine in PDB 8sr2: Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol

All present enzymatic activity of Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol:
1.14.13.25; 1.14.18.3;

The structure of Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol also contains other interesting chemical elements:

Copper

(Cu)

12 atoms

The binding sites of Chlorine atom in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol (pdb code 8sr2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol, PDB code: 8sr2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:30.0 occ:1.00 CZ C:PHE177 3.8 48.8 1.0 NE2 C:HIS245 3.8 63.2 1.0 CU C:CU302 4.0 91.1 1.0 CZ C:PHE248 4.1 57.2 1.0 OD2 C:ASP156 4.3 44.8 1.0 CE1 C:PHE248 4.3 57.2 1.0 CE1 C:PHE177 4.3 48.8 1.0 CD2 C:HIS245 4.4 63.2 1.0 OE2 C:GLU176 4.5 44.8 1.0 OD1 C:ASN227 4.5 62.5 1.0 CE1 C:PHE240 4.5 61.1 1.0 CZ C:PHE240 4.5 61.1 1.0 CE2 C:PHE248 4.5 57.2 1.0 O C:HOH401 4.6 30.0 1.0 CE1 C:HIS245 4.6 63.2 1.0 CE2 C:PHE177 4.9 48.8 1.0 CG C:ASN227 4.9 62.5 1.0 OE1 C:GLU176 4.9 44.8 1.0 CD1 C:PHE248 5.0 57.2 1.0 CD2 B:LEU43 5.0 51.6 1.0

Chlorine binding site 2 out of 3 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:30.0 occ:1.00 CZ G:PHE177 3.8 48.8 1.0 NE2 G:HIS245 3.8 63.2 1.0 CU G:CU303 4.0 91.1 1.0 CZ G:PHE248 4.1 57.2 1.0 OD2 G:ASP156 4.3 44.8 1.0 CE1 G:PHE248 4.3 57.2 1.0 CE1 G:PHE177 4.3 48.8 1.0 CD2 G:HIS245 4.4 63.2 1.0 OE2 G:GLU176 4.5 44.8 1.0 OD1 G:ASN227 4.5 62.5 1.0 CE1 G:PHE240 4.5 61.1 1.0 CZ G:PHE240 4.5 61.1 1.0 CE2 G:PHE248 4.5 57.2 1.0 O G:HOH401 4.6 30.0 1.0 CE1 G:HIS245 4.6 63.2 1.0 CE2 G:PHE177 4.9 48.8 1.0 CG G:ASN227 4.9 62.5 1.0 OE1 G:GLU176 4.9 44.8 1.0 CD1 G:PHE248 5.0 57.2 1.0

Chlorine binding site 3 out of 3 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl301 b:30.0 occ:1.00 CZ K:PHE177 3.8 48.8 1.0 NE2 K:HIS245 3.8 63.2 1.0 CU K:CU302 4.0 91.1 1.0 CZ K:PHE248 4.1 57.2 1.0 OD2 K:ASP156 4.3 44.8 1.0 CE1 K:PHE248 4.3 57.2 1.0 CE1 K:PHE177 4.3 48.8 1.0 CD2 K:HIS245 4.4 63.2 1.0 OE2 K:GLU176 4.5 44.8 1.0 OD1 K:ASN227 4.5 62.5 1.0 CE1 K:PHE240 4.5 61.1 1.0 CZ K:PHE240 4.5 61.1 1.0 CE2 K:PHE248 4.5 57.2 1.0 O K:HOH401 4.6 30.0 1.0 CE1 K:HIS245 4.6 63.2 1.0 CE2 K:PHE177 4.9 48.8 1.0 CG K:ASN227 4.9 62.5 1.0 OE1 K:GLU176 4.9 44.8 1.0 CD1 K:PHE248 5.0 57.2 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