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

Enzymatic activity of 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;

Other elements in 8sr2:

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

Chlorine (Cl) 3 atoms

Copper Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Copper 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 Copper atom.
In total 12 binding sites of Copper where determined in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol, PDB code: 8sr2:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 12 in 8sr2

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Copper binding site 1 out of 12 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu 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
A:Cu501

b:57.0
occ:1.00
 NE2 A:HIS139 1.9 41.9 1.0
ND1 A:HIS33 2.1 49.3 1.0
ND1 A:HIS137 2.1 41.9 1.0
N A:HIS33 2.6 49.3 1.0
CD2 A:HIS139 2.8 41.9 1.0
CE1 A:HIS139 3.0 41.9 1.0
CE1 A:HIS33 3.0 49.3 1.0
CG A:HIS33 3.0 49.3 1.0
CG A:HIS137 3.0 41.9 1.0
CA A:HIS33 3.1 49.3 1.0
CE1 A:HIS137 3.1 41.9 1.0
CB A:HIS137 3.3 41.9 1.0
CB A:HIS33 3.4 49.3 1.0
O A:HOH625 3.6 43.1 1.0
O A:HOH602 3.7 43.1 1.0
CG A:HIS139 4.0 41.9 1.0
ND1 A:HIS139 4.1 41.9 1.0
O A:HIS137 4.1 41.9 1.0
NE2 A:HIS33 4.1 49.3 1.0
OE2 A:GLU35 4.1 51.6 1.0
CD2 A:HIS33 4.2 49.3 1.0
CD2 A:HIS137 4.2 41.9 1.0
NE2 A:HIS137 4.2 41.9 1.0
C A:HIS33 4.5 49.3 1.0
CA A:HIS137 4.5 41.9 1.0
C A:HIS137 4.5 41.9 1.0
O A:HOH678 4.8 43.1 1.0
OE1 A:GLU35 4.8 51.6 1.0
CD A:GLU35 4.9 51.6 1.0

Copper binding site 2 out of 12 in 8sr2

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Copper binding site 2 out of 12 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu 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
A:Cu502

b:49.9
occ:1.00
 ND1 A:HIS72 2.1 41.9 1.0
ND1 A:HIS48 2.1 41.9 1.0
OE1 A:GLN404 2.8 42.6 1.0
CE1 A:HIS48 2.8 41.9 1.0
CG A:HIS48 3.0 41.9 1.0
CE1 A:HIS72 3.0 41.9 1.0
CG A:HIS72 3.1 41.9 1.0
O A:HIS72 3.3 41.9 1.0
CB A:HIS48 3.5 41.9 1.0
CB A:HIS72 3.5 41.9 1.0
NE2 A:HIS48 3.8 41.9 1.0
C A:HIS72 3.8 41.9 1.0
CD2 A:HIS48 3.9 41.9 1.0
CA A:PHE74 4.0 41.9 1.0
CD A:GLN404 4.0 42.6 1.0
N A:PHE74 4.0 41.9 1.0
NE2 A:HIS72 4.1 41.9 1.0
N A:HIS48 4.2 41.9 1.0
CD2 A:HIS72 4.2 41.9 1.0
CB A:PHE74 4.2 41.9 1.0
C A:VAL73 4.2 41.9 1.0
CA A:HIS72 4.3 41.9 1.0
CD2 A:LEU390 4.3 41.9 1.0
O A:VAL73 4.4 41.9 1.0
CA A:HIS48 4.5 41.9 1.0
CD1 A:PHE74 4.5 41.9 1.0
N A:VAL73 4.6 41.9 1.0
NE2 A:GLN404 4.8 42.6 1.0
CG A:PHE74 4.8 41.9 1.0
CG A:LEU390 4.9 41.9 1.0
CA A:VAL73 4.9 41.9 1.0
CG A:GLN404 5.0 42.6 1.0
N A:HIS72 5.0 41.9 1.0

Copper binding site 3 out of 12 in 8sr2

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Copper binding site 3 out of 12 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu 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
C:Cu302

b:91.1
occ:1.00
 NE2 C:HIS245 2.0 63.2 1.0
NE2 C:HIS231 2.0 64.3 1.0
OD1 C:ASN227 2.7 62.5 1.0
CE1 C:HIS245 2.8 63.2 1.0
CE1 C:HIS231 2.9 64.3 1.0
CD2 C:HIS231 3.0 64.3 1.0
CD2 C:HIS245 3.1 63.2 1.0
CG C:ASN227 3.4 62.5 1.0
CB C:ASN227 3.4 62.5 1.0
ND1 C:HIS245 3.9 63.2 1.0
CL C:CL301 4.0 30.0 1.0
ND1 C:HIS231 4.0 64.3 1.0
CG C:HIS231 4.0 64.3 1.0
CG C:HIS245 4.1 63.2 1.0
O C:HOH401 4.2 30.0 1.0
NH1 C:ARG165 4.3 60.7 1.0
O C:LEU244 4.3 64.8 1.0
CA C:ASN227 4.5 62.5 1.0
O C:ASN227 4.6 62.5 1.0
ND2 C:ASN227 4.7 62.5 1.0
C C:ASN227 4.7 62.5 1.0
NH2 C:ARG165 4.9 60.7 1.0
CZ C:ARG165 5.0 60.7 1.0

Copper binding site 4 out of 12 in 8sr2

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Copper binding site 4 out of 12 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu303

b:73.0
occ:1.00
 NE2 C:HIS173 2.0 50.3 1.0
NE2 C:HIS160 2.0 47.9 1.0
CE1 C:HIS160 2.1 47.9 1.0
OD2 C:ASP156 2.4 44.8 1.0
O C:HOH401 2.5 30.0 1.0
CD2 C:HIS173 2.8 50.3 1.0
CE1 C:HIS173 2.9 50.3 1.0
CG C:ASP156 3.1 44.8 1.0
CD2 C:HIS160 3.3 47.9 1.0
ND1 C:HIS160 3.4 47.9 1.0
OD1 C:ASP156 3.4 44.8 1.0
NH2 C:ARG165 3.9 60.7 1.0
CG C:HIS173 3.9 50.3 1.0
ND1 C:HIS173 3.9 50.3 1.0
CG C:HIS160 3.9 47.9 1.0
OG C:SER172 4.2 46.5 1.0
CB C:ASP156 4.4 44.8 1.0
OG1 C:THR170 4.4 51.7 1.0
CZ C:ARG165 4.6 60.7 1.0
OE1 C:GLU176 4.7 44.8 1.0
NH1 C:ARG165 4.7 60.7 1.0
CB C:SER172 4.7 46.5 1.0
CE2 C:PHE177 4.8 48.8 1.0

Copper binding site 5 out of 12 in 8sr2

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Copper binding site 5 out of 12 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu501

b:57.0
occ:1.00
 NE2 E:HIS139 1.9 41.9 1.0
ND1 E:HIS33 2.1 49.3 1.0
ND1 E:HIS137 2.1 41.9 1.0
N E:HIS33 2.6 49.3 1.0
CD2 E:HIS139 2.8 41.9 1.0
CE1 E:HIS139 3.0 41.9 1.0
CE1 E:HIS33 3.0 49.3 1.0
CG E:HIS33 3.0 49.3 1.0
CG E:HIS137 3.0 41.9 1.0
CA E:HIS33 3.1 49.3 1.0
CE1 E:HIS137 3.2 41.9 1.0
CB E:HIS137 3.3 41.9 1.0
CB E:HIS33 3.3 49.3 1.0
O E:HOH626 3.6 43.1 1.0
O E:HOH601 3.7 43.1 1.0
CG E:HIS139 4.0 41.9 1.0
ND1 E:HIS139 4.1 41.9 1.0
O E:HIS137 4.1 41.9 1.0
NE2 E:HIS33 4.1 49.3 1.0
OE2 E:GLU35 4.1 51.6 1.0
CD2 E:HIS33 4.2 49.3 1.0
CD2 E:HIS137 4.2 41.9 1.0
NE2 E:HIS137 4.2 41.9 1.0
C E:HIS33 4.5 49.3 1.0
CA E:HIS137 4.5 41.9 1.0
C E:HIS137 4.5 41.9 1.0
O E:HOH680 4.8 43.1 1.0
OE1 E:GLU35 4.8 51.6 1.0
CD E:GLU35 4.9 51.6 1.0

Copper binding site 6 out of 12 in 8sr2

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Copper binding site 6 out of 12 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu502

b:49.9
occ:1.00
 ND1 E:HIS72 2.1 41.9 1.0
ND1 E:HIS48 2.1 41.9 1.0
OE1 E:GLN404 2.8 42.6 1.0
CE1 E:HIS48 2.8 41.9 1.0
CG E:HIS48 3.0 41.9 1.0
CE1 E:HIS72 3.0 41.9 1.0
CG E:HIS72 3.1 41.9 1.0
O E:HIS72 3.3 41.9 1.0
CB E:HIS48 3.5 41.9 1.0
CB E:HIS72 3.5 41.9 1.0
NE2 E:HIS48 3.8 41.9 1.0
C E:HIS72 3.8 41.9 1.0
CD2 E:HIS48 3.9 41.9 1.0
CA E:PHE74 4.0 41.9 1.0
CD E:GLN404 4.0 42.6 1.0
N E:PHE74 4.0 41.9 1.0
NE2 E:HIS72 4.1 41.9 1.0
N E:HIS48 4.2 41.9 1.0
CD2 E:HIS72 4.2 41.9 1.0
CB E:PHE74 4.2 41.9 1.0
C E:VAL73 4.2 41.9 1.0
CA E:HIS72 4.3 41.9 1.0
CD2 E:LEU390 4.3 41.9 1.0
O E:VAL73 4.4 41.9 1.0
CA E:HIS48 4.4 41.9 1.0
CD1 E:PHE74 4.5 41.9 1.0
N E:VAL73 4.6 41.9 1.0
NE2 E:GLN404 4.8 42.6 1.0
CG E:PHE74 4.8 41.9 1.0
CG E:LEU390 4.9 41.9 1.0
CA E:VAL73 4.9 41.9 1.0
CG E:GLN404 5.0 42.6 1.0
N E:HIS72 5.0 41.9 1.0

Copper binding site 7 out of 12 in 8sr2

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Copper binding site 7 out of 12 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cu501

b:57.0
occ:1.00
 NE2 I:HIS139 1.9 41.9 1.0
ND1 I:HIS33 2.1 49.3 1.0
ND1 I:HIS137 2.1 41.9 1.0
N I:HIS33 2.6 49.3 1.0
CD2 I:HIS139 2.8 41.9 1.0
CE1 I:HIS139 3.0 41.9 1.0
CE1 I:HIS33 3.0 49.3 1.0
CG I:HIS33 3.0 49.3 1.0
CG I:HIS137 3.0 41.9 1.0
CA I:HIS33 3.1 49.3 1.0
CE1 I:HIS137 3.1 41.9 1.0
CB I:HIS137 3.3 41.9 1.0
CB I:HIS33 3.3 49.3 1.0
O I:HOH625 3.6 43.1 1.0
O I:HOH602 3.7 43.1 1.0
CG I:HIS139 4.0 41.9 1.0
ND1 I:HIS139 4.1 41.9 1.0
O I:HIS137 4.1 41.9 1.0
NE2 I:HIS33 4.1 49.3 1.0
OE2 I:GLU35 4.1 51.6 1.0
CD2 I:HIS33 4.1 49.3 1.0
CD2 I:HIS137 4.2 41.9 1.0
NE2 I:HIS137 4.2 41.9 1.0
C I:HIS33 4.5 49.3 1.0
CA I:HIS137 4.5 41.9 1.0
C I:HIS137 4.5 41.9 1.0
O I:HOH678 4.8 43.1 1.0
OE1 I:GLU35 4.8 51.6 1.0
CD I:GLU35 4.9 51.6 1.0

Copper binding site 8 out of 12 in 8sr2

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Copper binding site 8 out of 12 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cu502

b:49.9
occ:1.00
 ND1 I:HIS72 2.1 41.9 1.0
ND1 I:HIS48 2.1 41.9 1.0
OE1 I:GLN404 2.8 42.6 1.0
CE1 I:HIS48 2.8 41.9 1.0
CG I:HIS48 3.0 41.9 1.0
CE1 I:HIS72 3.0 41.9 1.0
CG I:HIS72 3.1 41.9 1.0
O I:HIS72 3.3 41.9 1.0
CB I:HIS48 3.5 41.9 1.0
CB I:HIS72 3.5 41.9 1.0
NE2 I:HIS48 3.8 41.9 1.0
C I:HIS72 3.8 41.9 1.0
CD2 I:HIS48 3.9 41.9 1.0
CA I:PHE74 4.0 41.9 1.0
CD I:GLN404 4.0 42.6 1.0
N I:PHE74 4.0 41.9 1.0
NE2 I:HIS72 4.1 41.9 1.0
N I:HIS48 4.2 41.9 1.0
CD2 I:HIS72 4.2 41.9 1.0
CB I:PHE74 4.2 41.9 1.0
C I:VAL73 4.2 41.9 1.0
CA I:HIS72 4.3 41.9 1.0
CD2 I:LEU390 4.3 41.9 1.0
O I:VAL73 4.4 41.9 1.0
CA I:HIS48 4.4 41.9 1.0
CD1 I:PHE74 4.5 41.9 1.0
N I:VAL73 4.6 41.9 1.0
NE2 I:GLN404 4.8 42.6 1.0
CG I:PHE74 4.8 41.9 1.0
CG I:LEU390 4.9 41.9 1.0
CA I:VAL73 4.9 41.9 1.0
CG I:GLN404 5.0 42.6 1.0
N I:HIS72 5.0 41.9 1.0

Copper binding site 9 out of 12 in 8sr2

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Copper binding site 9 out of 12 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cu303

b:91.1
occ:1.00
 NE2 G:HIS245 2.0 63.2 1.0
NE2 G:HIS231 2.0 64.3 1.0
OD1 G:ASN227 2.7 62.5 1.0
CE1 G:HIS245 2.8 63.2 1.0
CE1 G:HIS231 2.9 64.3 1.0
CD2 G:HIS231 3.0 64.3 1.0
CD2 G:HIS245 3.1 63.2 1.0
CG G:ASN227 3.4 62.5 1.0
CB G:ASN227 3.4 62.5 1.0
ND1 G:HIS245 3.9 63.2 1.0
CL G:CL302 4.0 30.0 1.0
ND1 G:HIS231 4.0 64.3 1.0
CG G:HIS231 4.0 64.3 1.0
CG G:HIS245 4.1 63.2 1.0
O G:HOH401 4.2 30.0 1.0
NH1 G:ARG165 4.3 60.7 1.0
O G:LEU244 4.3 64.8 1.0
CA G:ASN227 4.5 62.5 1.0
O G:ASN227 4.6 62.5 1.0
ND2 G:ASN227 4.7 62.5 1.0
C G:ASN227 4.7 62.5 1.0
NH2 G:ARG165 4.9 60.7 1.0
CZ G:ARG165 5.0 60.7 1.0

Copper binding site 10 out of 12 in 8sr2

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Copper binding site 10 out of 12 in the Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of Particulate Methane Monooxygenase Incubated with 4,4,4- Trifluorobutanol within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cu304

b:73.0
occ:1.00
 NE2 G:HIS173 2.0 50.3 1.0
NE2 G:HIS160 2.0 47.9 1.0
CE1 G:HIS160 2.1 47.9 1.0
OD2 G:ASP156 2.4 44.8 1.0
O G:HOH401 2.5 30.0 1.0
CD2 G:HIS173 2.8 50.3 1.0
CE1 G:HIS173 2.9 50.3 1.0
CG G:ASP156 3.1 44.8 1.0
CD2 G:HIS160 3.3 47.9 1.0
ND1 G:HIS160 3.4 47.9 1.0
OD1 G:ASP156 3.4 44.8 1.0
NH2 G:ARG165 3.9 60.7 1.0
CG G:HIS173 3.9 50.3 1.0
ND1 G:HIS173 3.9 50.3 1.0
CG G:HIS160 3.9 47.9 1.0
OG G:SER172 4.2 46.5 1.0
CB G:ASP156 4.4 44.8 1.0
OG1 G:THR170 4.4 51.7 1.0
CZ G:ARG165 4.6 60.7 1.0
OE1 G:GLU176 4.7 44.8 1.0
NH1 G:ARG165 4.7 60.7 1.0
CB G:SER172 4.7 46.5 1.0
CE2 G:PHE177 4.8 48.8 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: Wed Jul 31 10:17:14 2024

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