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Fluorine in PDB 8sr1: Particulate Methane Monooxygenase Crosslinked with 4,4,4- Trifluorobutanol Bound

Other elements in 8sr1:

The structure of Particulate Methane Monooxygenase Crosslinked with 4,4,4- Trifluorobutanol 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 4,4,4- Trifluorobutanol Bound (pdb code 8sr1). 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 4,4,4- Trifluorobutanol Bound, PDB code: 8sr1:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 8sr1

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Fluorine binding site 1 out of 9 in the Particulate Methane Monooxygenase Crosslinked with 4,4,4- Trifluorobutanol 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 4,4,4- Trifluorobutanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F310

b:0.5
occ:1.00
F1 C:WIY310 0.0 0.5 1.0
C1 C:WIY310 1.3 0.5 1.0
CA C:GLU238 1.8 41.9 1.0
F3 C:WIY310 2.1 0.5 1.0
F2 C:WIY310 2.1 0.5 1.0
CB C:GLU238 2.2 41.9 1.0
C2 C:WIY310 2.4 0.5 1.0
H2 C:WIY310 2.4 0.5 1.0
C C:GLU238 2.5 41.9 1.0
O C:GLU238 2.7 41.9 1.0
H1 C:WIY310 2.7 0.5 1.0
NH1 C:ARG165 3.1 41.7 1.0
N C:GLU238 3.1 41.9 1.0
O C:GLU237 3.4 46.5 1.0
N C:LEU239 3.4 38.1 1.0
CG C:GLU238 3.4 41.9 1.0
NH2 F:ARG206 3.5 41.1 1.0
C C:GLU237 3.7 46.5 1.0
C3 C:WIY310 3.7 0.5 1.0
OE1 C:GLU238 3.8 41.9 1.0
CD C:GLU238 3.8 41.9 1.0
H4 C:WIY310 3.9 0.5 1.0
CD2 C:HIS231 4.0 38.8 1.0
H6 C:WIY310 4.2 0.5 1.0
CZ C:ARG165 4.2 41.7 1.0
O C:LEU239 4.3 38.1 1.0
CZ F:ARG206 4.3 41.1 1.0
NH1 F:ARG206 4.3 41.1 1.0
H3 C:WIY310 4.4 0.5 1.0
NE2 C:HIS231 4.5 38.8 1.0
C C:LEU239 4.5 38.1 1.0
CA C:LEU239 4.5 38.1 1.0
NE C:ARG165 4.5 41.7 1.0
C4 C:WIY310 4.6 0.5 1.0
OE2 C:GLU238 4.7 41.9 1.0
CB C:HIS160 4.8 37.4 1.0
NE2 C:GLN161 4.8 37.0 1.0

Fluorine binding site 2 out of 9 in 8sr1

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Fluorine binding site 2 out of 9 in the Particulate Methane Monooxygenase Crosslinked with 4,4,4- Trifluorobutanol 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 4,4,4- Trifluorobutanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F310

b:0.5
occ:1.00
F2 C:WIY310 0.0 0.5 1.0
C1 C:WIY310 1.3 0.5 1.0
NH1 C:ARG165 1.8 41.7 1.0
F3 C:WIY310 2.1 0.5 1.0
F1 C:WIY310 2.1 0.5 1.0
C2 C:WIY310 2.4 0.5 1.0
CZ C:ARG165 2.7 41.7 1.0
H6 C:WIY310 2.8 0.5 1.0
H2 C:WIY310 2.8 0.5 1.0
H4 C:WIY310 2.8 0.5 1.0
C3 C:WIY310 2.9 0.5 1.0
CB C:HIS160 2.9 37.4 1.0
H1 C:WIY310 3.2 0.5 1.0
C4 C:WIY310 3.3 0.5 1.0
NE C:ARG165 3.3 41.7 1.0
CB C:GLU238 3.3 41.9 1.0
CG C:HIS160 3.5 37.4 1.0
OE1 C:GLU238 3.5 41.9 1.0
H5 C:WIY310 3.6 0.5 1.0
NH2 C:ARG165 3.6 41.7 1.0
CA C:GLU238 3.7 41.9 1.0
H3 C:WIY310 3.8 0.5 1.0
NH2 F:ARG206 3.9 41.1 1.0
CD2 C:HIS231 4.1 38.8 1.0
O C:GLU238 4.1 41.9 1.0
CA C:HIS160 4.1 37.4 1.0
NE2 C:HIS231 4.2 38.8 1.0
O C:HIS160 4.2 37.4 1.0
CD C:GLU238 4.2 41.9 1.0
CD2 C:HIS160 4.2 37.4 1.0
ND1 C:HIS160 4.3 37.4 1.0
NH1 F:ARG206 4.3 41.1 1.0
C C:HIS160 4.3 37.4 1.0
CG C:GLU238 4.4 41.9 1.0
C C:GLU238 4.4 41.9 1.0
O1 C:WIY310 4.5 0.5 1.0
CZ F:ARG206 4.6 41.1 1.0
CD C:ARG165 4.6 41.7 1.0
H7 C:WIY310 4.7 0.5 0.0
CG C:HIS231 4.9 38.8 1.0
CE1 C:HIS231 5.0 38.8 1.0

Fluorine binding site 3 out of 9 in 8sr1

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Fluorine binding site 3 out of 9 in the Particulate Methane Monooxygenase Crosslinked with 4,4,4- Trifluorobutanol 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 4,4,4- Trifluorobutanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F310

b:0.5
occ:1.00
F3 C:WIY310 0.0 0.5 1.0
C1 C:WIY310 1.3 0.5 1.0
CD2 C:HIS231 2.1 38.8 1.0
F2 C:WIY310 2.1 0.5 1.0
F1 C:WIY310 2.1 0.5 1.0
C2 C:WIY310 2.4 0.5 1.0
H1 C:WIY310 2.5 0.5 1.0
NE2 C:HIS231 2.5 38.8 1.0
H6 C:WIY310 2.7 0.5 1.0
NH1 C:ARG165 2.9 41.7 1.0
NH2 F:ARG206 3.0 41.1 1.0
CG C:HIS231 3.1 38.8 1.0
H2 C:WIY310 3.2 0.5 1.0
C3 C:WIY310 3.2 0.5 1.0
C4 C:WIY310 3.4 0.5 1.0
CE1 C:HIS231 3.5 38.8 1.0
H4 C:WIY310 3.8 0.5 1.0
ND1 C:HIS231 3.8 38.8 1.0
CA C:GLU238 3.8 41.9 1.0
H3 C:WIY310 3.9 0.5 1.0
CB C:HIS231 4.0 38.8 1.0
CU C:CU301 4.1 91.1 1.0
H7 C:WIY310 4.1 0.5 0.0
H5 C:WIY310 4.1 0.5 1.0
O1 C:WIY310 4.1 0.5 1.0
CZ C:ARG165 4.2 41.7 1.0
CZ F:ARG206 4.2 41.1 1.0
CB C:GLU238 4.3 41.9 1.0
C C:GLU238 4.3 41.9 1.0
O C:GLU237 4.3 46.5 1.0
O C:GLU238 4.4 41.9 1.0
NH1 F:ARG206 4.5 41.1 1.0
O C:LEU239 4.6 38.1 1.0
CE1 C:HIS245 4.7 36.6 1.0
NH2 C:ARG165 4.8 41.7 1.0
OE1 C:GLU238 4.9 41.9 1.0
CB C:HIS160 4.9 37.4 1.0
N C:LEU239 4.9 38.1 1.0
N C:GLU238 4.9 41.9 1.0

Fluorine binding site 4 out of 9 in 8sr1

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

b:0.5
occ:1.00
F1 G:WIY311 0.0 0.5 1.0
C1 G:WIY311 1.3 0.5 1.0
CA G:GLU238 1.8 41.9 1.0
F3 G:WIY311 2.1 0.5 1.0
F2 G:WIY311 2.1 0.5 1.0
CB G:GLU238 2.2 41.9 1.0
C2 G:WIY311 2.4 0.5 1.0
H2 G:WIY311 2.4 0.5 1.0
C G:GLU238 2.5 41.9 1.0
O G:GLU238 2.7 41.9 1.0
H1 G:WIY311 2.7 0.5 1.0
NH1 G:ARG165 3.1 41.7 1.0
N G:GLU238 3.1 41.9 1.0
O G:GLU237 3.4 46.5 1.0
N G:LEU239 3.4 38.1 1.0
CG G:GLU238 3.4 41.9 1.0
NH2 J:ARG206 3.5 41.1 1.0
C G:GLU237 3.7 46.5 1.0
C3 G:WIY311 3.7 0.5 1.0
OE1 G:GLU238 3.8 41.9 1.0
CD G:GLU238 3.8 41.9 1.0
H4 G:WIY311 3.9 0.5 1.0
CD2 G:HIS231 4.0 38.8 1.0
H6 G:WIY311 4.2 0.5 1.0
CZ G:ARG165 4.2 41.7 1.0
O G:LEU239 4.3 38.1 1.0
NH1 J:ARG206 4.3 41.1 1.0
CZ J:ARG206 4.3 41.1 1.0
H3 G:WIY311 4.4 0.5 1.0
NE2 G:HIS231 4.5 38.8 1.0
C G:LEU239 4.5 38.1 1.0
CA G:LEU239 4.5 38.1 1.0
NE G:ARG165 4.5 41.7 1.0
C4 G:WIY311 4.6 0.5 1.0
OE2 G:GLU238 4.7 41.9 1.0
CB G:HIS160 4.8 37.4 1.0
NE2 G:GLN161 4.8 37.0 1.0

Fluorine binding site 5 out of 9 in 8sr1

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Fluorine binding site 5 out of 9 in the Particulate Methane Monooxygenase Crosslinked with 4,4,4- Trifluorobutanol 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 4,4,4- Trifluorobutanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F311

b:0.5
occ:1.00
F2 G:WIY311 0.0 0.5 1.0
C1 G:WIY311 1.3 0.5 1.0
NH1 G:ARG165 1.8 41.7 1.0
F3 G:WIY311 2.1 0.5 1.0
F1 G:WIY311 2.1 0.5 1.0
C2 G:WIY311 2.4 0.5 1.0
CZ G:ARG165 2.7 41.7 1.0
H6 G:WIY311 2.8 0.5 1.0
H2 G:WIY311 2.8 0.5 1.0
H4 G:WIY311 2.8 0.5 1.0
C3 G:WIY311 2.9 0.5 1.0
CB G:HIS160 2.9 37.4 1.0
H1 G:WIY311 3.2 0.5 1.0
C4 G:WIY311 3.3 0.5 1.0
NE G:ARG165 3.3 41.7 1.0
CB G:GLU238 3.3 41.9 1.0
CG G:HIS160 3.5 37.4 1.0
OE1 G:GLU238 3.5 41.9 1.0
H5 G:WIY311 3.6 0.5 1.0
NH2 G:ARG165 3.6 41.7 1.0
CA G:GLU238 3.7 41.9 1.0
H3 G:WIY311 3.8 0.5 1.0
NH2 J:ARG206 3.9 41.1 1.0
CD2 G:HIS231 4.1 38.8 1.0
O G:GLU238 4.1 41.9 1.0
CA G:HIS160 4.1 37.4 1.0
NE2 G:HIS231 4.2 38.8 1.0
O G:HIS160 4.2 37.4 1.0
CD G:GLU238 4.2 41.9 1.0
CD2 G:HIS160 4.2 37.4 1.0
ND1 G:HIS160 4.3 37.4 1.0
NH1 J:ARG206 4.3 41.1 1.0
C G:HIS160 4.3 37.4 1.0
CG G:GLU238 4.4 41.9 1.0
C G:GLU238 4.4 41.9 1.0
O1 G:WIY311 4.5 0.5 1.0
CZ J:ARG206 4.6 41.1 1.0
CD G:ARG165 4.6 41.7 1.0
H7 G:WIY311 4.7 0.5 0.0
CG G:HIS231 4.9 38.8 1.0
CE1 G:HIS231 5.0 38.8 1.0

Fluorine binding site 6 out of 9 in 8sr1

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Fluorine binding site 6 out of 9 in the Particulate Methane Monooxygenase Crosslinked with 4,4,4- Trifluorobutanol 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 4,4,4- Trifluorobutanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F311

b:0.5
occ:1.00
F3 G:WIY311 0.0 0.5 1.0
C1 G:WIY311 1.3 0.5 1.0
CD2 G:HIS231 2.1 38.8 1.0
F2 G:WIY311 2.1 0.5 1.0
F1 G:WIY311 2.1 0.5 1.0
C2 G:WIY311 2.4 0.5 1.0
H1 G:WIY311 2.5 0.5 1.0
NE2 G:HIS231 2.5 38.8 1.0
H6 G:WIY311 2.7 0.5 1.0
NH1 G:ARG165 2.9 41.7 1.0
NH2 J:ARG206 3.0 41.1 1.0
CG G:HIS231 3.1 38.8 1.0
H2 G:WIY311 3.2 0.5 1.0
C3 G:WIY311 3.2 0.5 1.0
C4 G:WIY311 3.4 0.5 1.0
CE1 G:HIS231 3.5 38.8 1.0
H4 G:WIY311 3.8 0.5 1.0
ND1 G:HIS231 3.8 38.8 1.0
CA G:GLU238 3.8 41.9 1.0
H3 G:WIY311 3.9 0.5 1.0
CB G:HIS231 4.0 38.8 1.0
CU G:CU302 4.1 91.1 1.0
H7 G:WIY311 4.1 0.5 0.0
H5 G:WIY311 4.1 0.5 1.0
O1 G:WIY311 4.1 0.5 1.0
CZ J:ARG206 4.2 41.1 1.0
CZ G:ARG165 4.2 41.7 1.0
CB G:GLU238 4.3 41.9 1.0
C G:GLU238 4.3 41.9 1.0
O G:GLU237 4.3 46.5 1.0
O G:GLU238 4.4 41.9 1.0
NH1 J:ARG206 4.5 41.1 1.0
O G:LEU239 4.6 38.1 1.0
CE1 G:HIS245 4.7 36.6 1.0
NH2 G:ARG165 4.8 41.7 1.0
OE1 G:GLU238 4.9 41.9 1.0
CB G:HIS160 4.9 37.4 1.0
N G:LEU239 4.9 38.1 1.0
N G:GLU238 4.9 41.9 1.0

Fluorine binding site 7 out of 9 in 8sr1

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Fluorine binding site 7 out of 9 in the Particulate Methane Monooxygenase Crosslinked with 4,4,4- Trifluorobutanol 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 4,4,4- Trifluorobutanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F311

b:0.5
occ:1.00
F1 K:WIY311 0.0 0.5 1.0
C1 K:WIY311 1.3 0.5 1.0
CA K:GLU238 1.8 41.9 1.0
F3 K:WIY311 2.1 0.5 1.0
F2 K:WIY311 2.1 0.5 1.0
CB K:GLU238 2.2 41.9 1.0
C2 K:WIY311 2.4 0.5 1.0
H2 K:WIY311 2.4 0.5 1.0
C K:GLU238 2.5 41.9 1.0
O K:GLU238 2.7 41.9 1.0
H1 K:WIY311 2.7 0.5 1.0
NH1 K:ARG165 3.1 41.7 1.0
N K:GLU238 3.1 41.9 1.0
O K:GLU237 3.4 46.5 1.0
N K:LEU239 3.4 38.1 1.0
CG K:GLU238 3.4 41.9 1.0
NH2 B:ARG206 3.6 41.1 1.0
C K:GLU237 3.7 46.5 1.0
C3 K:WIY311 3.7 0.5 1.0
OE1 K:GLU238 3.8 41.9 1.0
CD K:GLU238 3.8 41.9 1.0
H4 K:WIY311 3.9 0.5 1.0
CD2 K:HIS231 4.0 38.8 1.0
H6 K:WIY311 4.2 0.5 1.0
CZ K:ARG165 4.2 41.7 1.0
O K:LEU239 4.3 38.1 1.0
CZ B:ARG206 4.4 41.1 1.0
NH1 B:ARG206 4.4 41.1 1.0
H3 K:WIY311 4.4 0.5 1.0
NE2 K:HIS231 4.5 38.8 1.0
C K:LEU239 4.5 38.1 1.0
CA K:LEU239 4.5 38.1 1.0
NE K:ARG165 4.5 41.7 1.0
C4 K:WIY311 4.6 0.5 1.0
OE2 K:GLU238 4.7 41.9 1.0
CB K:HIS160 4.8 37.4 1.0
NE2 K:GLN161 4.8 37.0 1.0

Fluorine binding site 8 out of 9 in 8sr1

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Fluorine binding site 8 out of 9 in the Particulate Methane Monooxygenase Crosslinked with 4,4,4- Trifluorobutanol 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 4,4,4- Trifluorobutanol Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
K:F311

b:0.5
occ:1.00
F2 K:WIY311 0.0 0.5 1.0
C1 K:WIY311 1.3 0.5 1.0
NH1 K:ARG165 1.8 41.7 1.0
F3 K:WIY311 2.1 0.5 1.0
F1 K:WIY311 2.1 0.5 1.0
C2 K:WIY311 2.4 0.5 1.0
CZ K:ARG165 2.7 41.7 1.0
H6 K:WIY311 2.8 0.5 1.0
H2 K:WIY311 2.8 0.5 1.0
H4 K:WIY311 2.8 0.5 1.0
C3 K:WIY311 2.9 0.5 1.0
CB K:HIS160 2.9 37.4 1.0
H1 K:WIY311 3.2 0.5 1.0
C4 K:WIY311 3.3 0.5 1.0
NE K:ARG165 3.3 41.7 1.0
CB K:GLU238 3.3 41.9 1.0
CG K:HIS160 3.5 37.4 1.0
OE1 K:GLU238 3.5 41.9 1.0
H5 K:WIY311 3.6 0.5 1.0
NH2 K:ARG165 3.6 41.7 1.0
CA K:GLU238 3.7 41.9 1.0
H3 K:WIY311 3.8 0.5 1.0
NH2 B:ARG206 3.9 41.1 1.0
CD2 K:HIS231 4.1 38.8 1.0
O K:GLU238 4.1 41.9 1.0
CA K:HIS160 4.1 37.4 1.0
NE2 K:HIS231 4.2 38.8 1.0
O K:HIS160 4.2 37.4 1.0
CD K:GLU238 4.2 41.9 1.0
CD2 K:HIS160 4.2 37.4 1.0
ND1 K:HIS160 4.3 37.4 1.0
NH1 B:ARG206 4.3 41.1 1.0
C K:HIS160 4.3 37.4 1.0
CG K:GLU238 4.4 41.9 1.0
C K:GLU238 4.4 41.9 1.0
O1 K:WIY311 4.5 0.5 1.0
CD K:ARG165 4.6 41.7 1.0
CZ B:ARG206 4.6 41.1 1.0
H7 K:WIY311 4.7 0.5 0.0
CG K:HIS231 4.9 38.8 1.0
CE1 K:HIS231 5.0 38.8 1.0

Fluorine binding site 9 out of 9 in 8sr1

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

b:0.5
occ:1.00
F3 K:WIY311 0.0 0.5 1.0
C1 K:WIY311 1.3 0.5 1.0
CD2 K:HIS231 2.1 38.8 1.0
F2 K:WIY311 2.1 0.5 1.0
F1 K:WIY311 2.1 0.5 1.0
C2 K:WIY311 2.4 0.5 1.0
H1 K:WIY311 2.5 0.5 1.0
NE2 K:HIS231 2.5 38.8 1.0
H6 K:WIY311 2.7 0.5 1.0
NH1 K:ARG165 2.9 41.7 1.0
NH2 B:ARG206 3.0 41.1 1.0
CG K:HIS231 3.1 38.8 1.0
H2 K:WIY311 3.2 0.5 1.0
C3 K:WIY311 3.2 0.5 1.0
C4 K:WIY311 3.4 0.5 1.0
CE1 K:HIS231 3.5 38.8 1.0
H4 K:WIY311 3.8 0.5 1.0
ND1 K:HIS231 3.8 38.8 1.0
CA K:GLU238 3.8 41.9 1.0
H3 K:WIY311 3.9 0.5 1.0
CB K:HIS231 4.0 38.8 1.0
CU K:CU302 4.1 91.1 1.0
H7 K:WIY311 4.1 0.5 0.0
H5 K:WIY311 4.1 0.5 1.0
O1 K:WIY311 4.1 0.5 1.0
CZ K:ARG165 4.2 41.7 1.0
CZ B:ARG206 4.2 41.1 1.0
CB K:GLU238 4.3 41.9 1.0
C K:GLU238 4.3 41.9 1.0
O K:GLU237 4.3 46.5 1.0
O K:GLU238 4.4 41.9 1.0
NH1 B:ARG206 4.5 41.1 1.0
O K:LEU239 4.6 38.1 1.0
CE1 K:HIS245 4.7 36.6 1.0
NH2 K:ARG165 4.8 41.7 1.0
OE1 K:GLU238 4.9 41.9 1.0
CB K:HIS160 4.9 37.4 1.0
N K:LEU239 4.9 38.1 1.0
N K:GLU238 4.9 41.9 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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