Manganese in PDB 8sma: Sfbo with Di-Manganese Cofactor
Protein crystallography data
The structure of Sfbo with Di-Manganese Cofactor, PDB code: 8sma
was solved by
C.Liu,
J.Rittle,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
93.53 /
2.18
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
85.388,
127.408,
137.749,
90,
90,
90
|
|
R / Rfree (%)
|
14.9 /
19.2
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Sfbo with Di-Manganese Cofactor
(pdb code 8sma). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the
Sfbo with Di-Manganese Cofactor, PDB code: 8sma:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Manganese binding site 1 out
of 8 in 8sma
Go back to
Manganese Binding Sites List in 8sma
Manganese binding site 1 out
of 8 in the Sfbo with Di-Manganese Cofactor
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Sfbo with Di-Manganese Cofactor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn402
b:27.5
occ:0.86
|
NE2
|
A:HIS32
|
2.0
|
17.3
|
1.0
|
|
OD2
|
A:ASP30
|
2.0
|
22.3
|
1.0
|
|
OE1
|
A:GLU264
|
2.1
|
32.6
|
1.0
|
|
NE2
|
A:HIS207
|
2.2
|
23.4
|
1.0
|
|
OD1
|
A:ASP337
|
2.2
|
27.9
|
1.0
|
|
CG
|
A:ASP30
|
2.8
|
23.5
|
1.0
|
|
OD1
|
A:ASP30
|
2.9
|
20.8
|
1.0
|
|
CE1
|
A:HIS32
|
3.0
|
22.4
|
1.0
|
|
CD2
|
A:HIS32
|
3.0
|
20.4
|
1.0
|
|
CD2
|
A:HIS207
|
3.1
|
17.7
|
1.0
|
|
CE1
|
A:HIS207
|
3.2
|
19.7
|
1.0
|
|
CG
|
A:ASP337
|
3.3
|
25.7
|
1.0
|
|
CD
|
A:GLU264
|
3.3
|
28.1
|
1.0
|
|
MN
|
A:MN403
|
3.9
|
36.8
|
0.7
|
|
O
|
A:HOH512
|
4.0
|
22.1
|
1.0
|
|
OD2
|
A:ASP337
|
4.0
|
27.7
|
1.0
|
|
ND1
|
A:HIS32
|
4.1
|
22.5
|
1.0
|
|
CB
|
A:ASP337
|
4.1
|
19.2
|
1.0
|
|
OE2
|
A:GLU264
|
4.1
|
28.8
|
1.0
|
|
CG
|
A:HIS32
|
4.1
|
19.5
|
1.0
|
|
CB
|
A:GLU264
|
4.2
|
22.4
|
1.0
|
|
CB
|
A:ASP30
|
4.3
|
20.4
|
1.0
|
|
CG
|
A:HIS207
|
4.3
|
22.0
|
1.0
|
|
ND1
|
A:HIS207
|
4.3
|
20.8
|
1.0
|
|
CG
|
A:GLU264
|
4.3
|
26.7
|
1.0
|
|
CA
|
A:ASP337
|
4.3
|
20.5
|
1.0
|
|
CG2
|
A:ILE263
|
4.5
|
26.6
|
1.0
|
|
ND1
|
A:HIS340
|
4.5
|
27.4
|
1.0
|
|
CE1
|
A:HIS340
|
4.7
|
28.1
|
1.0
|
|
O
|
A:HOH702
|
4.8
|
33.4
|
1.0
|
|
Manganese binding site 2 out
of 8 in 8sma
Go back to
Manganese Binding Sites List in 8sma
Manganese binding site 2 out
of 8 in the Sfbo with Di-Manganese Cofactor
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Sfbo with Di-Manganese Cofactor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn403
b:36.8
occ:0.71
|
O
|
A:HOH501
|
2.1
|
33.9
|
1.0
|
|
OD2
|
A:ASP337
|
2.1
|
27.7
|
1.0
|
|
ND1
|
A:HIS340
|
2.4
|
27.4
|
1.0
|
|
OE2
|
A:GLU264
|
2.5
|
28.8
|
1.0
|
|
CG
|
A:ASP337
|
2.8
|
25.7
|
1.0
|
|
OD1
|
A:ASP337
|
2.9
|
27.9
|
1.0
|
|
OE1
|
A:GLU264
|
3.1
|
32.6
|
1.0
|
|
CD
|
A:GLU264
|
3.2
|
28.1
|
1.0
|
|
CG
|
A:HIS340
|
3.3
|
28.2
|
1.0
|
|
CE1
|
A:HIS340
|
3.4
|
28.1
|
1.0
|
|
CB
|
A:HIS340
|
3.5
|
22.3
|
1.0
|
|
O1
|
A:SO4401
|
3.6
|
24.4
|
0.8
|
|
OD1
|
A:ASP342
|
3.8
|
23.8
|
1.0
|
|
O
|
A:HOH635
|
3.8
|
35.1
|
1.0
|
|
MN
|
A:MN402
|
3.9
|
27.5
|
0.9
|
|
O4
|
A:SO4401
|
4.0
|
28.3
|
0.8
|
|
O
|
A:HOH504
|
4.3
|
31.6
|
1.0
|
|
S
|
A:SO4401
|
4.3
|
35.7
|
0.8
|
|
CB
|
A:ASP337
|
4.3
|
19.2
|
1.0
|
|
NE2
|
A:HIS32
|
4.3
|
17.3
|
1.0
|
|
O
|
A:HOH702
|
4.4
|
33.4
|
1.0
|
|
CD2
|
A:HIS340
|
4.4
|
25.2
|
1.0
|
|
OD2
|
A:ASP342
|
4.4
|
35.1
|
1.0
|
|
NE2
|
A:HIS340
|
4.5
|
25.9
|
1.0
|
|
CG
|
A:ASP342
|
4.5
|
28.2
|
1.0
|
|
CD2
|
A:HIS32
|
4.6
|
20.4
|
1.0
|
|
CE2
|
A:PHE208
|
4.6
|
21.7
|
1.0
|
|
CG
|
A:GLU264
|
4.7
|
26.7
|
1.0
|
|
O
|
A:ASP337
|
4.7
|
18.6
|
1.0
|
|
O2
|
A:SO4401
|
4.7
|
39.7
|
0.8
|
|
CA
|
A:HIS340
|
5.0
|
26.3
|
1.0
|
|
NE2
|
A:GLN308
|
5.0
|
16.1
|
1.0
|
|
Manganese binding site 3 out
of 8 in 8sma
Go back to
Manganese Binding Sites List in 8sma
Manganese binding site 3 out
of 8 in the Sfbo with Di-Manganese Cofactor
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Sfbo with Di-Manganese Cofactor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn402
b:23.8
occ:0.82
|
OD2
|
B:ASP30
|
2.0
|
20.5
|
1.0
|
|
OE1
|
B:GLU264
|
2.0
|
24.7
|
1.0
|
|
NE2
|
B:HIS32
|
2.2
|
25.0
|
1.0
|
|
OD1
|
B:ASP337
|
2.2
|
28.6
|
1.0
|
|
NE2
|
B:HIS207
|
2.2
|
22.8
|
1.0
|
|
CG
|
B:ASP30
|
2.9
|
22.8
|
1.0
|
|
OD1
|
B:ASP30
|
3.0
|
18.6
|
1.0
|
|
CD2
|
B:HIS32
|
3.1
|
22.8
|
1.0
|
|
CE1
|
B:HIS32
|
3.1
|
25.5
|
1.0
|
|
CG
|
B:ASP337
|
3.2
|
24.8
|
1.0
|
|
CE1
|
B:HIS207
|
3.2
|
22.2
|
1.0
|
|
CD2
|
B:HIS207
|
3.3
|
20.0
|
1.0
|
|
CD
|
B:GLU264
|
3.3
|
21.0
|
1.0
|
|
MN
|
B:MN403
|
3.8
|
35.8
|
0.6
|
|
OD2
|
B:ASP337
|
3.8
|
29.0
|
1.0
|
|
OE2
|
B:GLU264
|
3.9
|
26.1
|
1.0
|
|
O
|
B:HOH531
|
4.1
|
18.3
|
1.0
|
|
CB
|
B:ASP337
|
4.1
|
23.2
|
1.0
|
|
ND1
|
B:HIS32
|
4.2
|
24.4
|
1.0
|
|
CG
|
B:HIS32
|
4.3
|
21.4
|
1.0
|
|
CB
|
B:GLU264
|
4.3
|
19.3
|
1.0
|
|
CB
|
B:ASP30
|
4.3
|
21.1
|
1.0
|
|
ND1
|
B:HIS207
|
4.3
|
22.1
|
1.0
|
|
CG
|
B:GLU264
|
4.3
|
23.2
|
1.0
|
|
ND1
|
B:HIS340
|
4.4
|
29.4
|
1.0
|
|
CG
|
B:HIS207
|
4.4
|
20.8
|
1.0
|
|
CA
|
B:ASP337
|
4.4
|
22.2
|
1.0
|
|
CE1
|
B:HIS340
|
4.5
|
27.6
|
1.0
|
|
O
|
B:HOH507
|
4.5
|
30.8
|
0.8
|
|
CG2
|
B:ILE263
|
4.6
|
28.0
|
1.0
|
|
OE1
|
B:GLN308
|
4.9
|
19.9
|
1.0
|
|
Manganese binding site 4 out
of 8 in 8sma
Go back to
Manganese Binding Sites List in 8sma
Manganese binding site 4 out
of 8 in the Sfbo with Di-Manganese Cofactor
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Sfbo with Di-Manganese Cofactor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn403
b:35.8
occ:0.57
|
O
|
B:HOH501
|
2.1
|
33.6
|
1.0
|
|
OD2
|
B:ASP337
|
2.1
|
29.0
|
1.0
|
|
O
|
B:HOH507
|
2.2
|
30.8
|
0.8
|
|
ND1
|
B:HIS340
|
2.3
|
29.4
|
1.0
|
|
OE2
|
B:GLU264
|
2.3
|
26.1
|
1.0
|
|
CG
|
B:ASP337
|
2.9
|
24.8
|
1.0
|
|
OD1
|
B:ASP337
|
3.0
|
28.6
|
1.0
|
|
CD
|
B:GLU264
|
3.1
|
21.0
|
1.0
|
|
OE1
|
B:GLU264
|
3.2
|
24.7
|
1.0
|
|
CE1
|
B:HIS340
|
3.2
|
27.6
|
1.0
|
|
CG
|
B:HIS340
|
3.3
|
23.7
|
1.0
|
|
CB
|
B:HIS340
|
3.6
|
26.3
|
1.0
|
|
O2
|
B:SO4401
|
3.8
|
23.5
|
0.8
|
|
MN
|
B:MN402
|
3.8
|
23.8
|
0.8
|
|
OD1
|
B:ASP342
|
3.9
|
24.1
|
1.0
|
|
O3
|
B:SO4401
|
3.9
|
24.4
|
0.8
|
|
O
|
B:HOH651
|
4.1
|
34.6
|
1.0
|
|
O
|
B:HOH511
|
4.2
|
25.5
|
1.0
|
|
NE2
|
B:HIS340
|
4.3
|
30.2
|
1.0
|
|
S
|
B:SO4401
|
4.4
|
29.1
|
0.8
|
|
NE2
|
B:HIS32
|
4.4
|
25.0
|
1.0
|
|
CB
|
B:ASP337
|
4.4
|
23.2
|
1.0
|
|
CD2
|
B:HIS340
|
4.4
|
26.2
|
1.0
|
|
CE2
|
B:PHE208
|
4.5
|
21.4
|
1.0
|
|
CG
|
B:GLU264
|
4.6
|
23.2
|
1.0
|
|
OD2
|
B:ASP342
|
4.6
|
30.5
|
1.0
|
|
CG
|
B:ASP342
|
4.7
|
30.4
|
1.0
|
|
CD2
|
B:HIS32
|
4.7
|
22.8
|
1.0
|
|
O4
|
B:SO4401
|
4.8
|
31.2
|
0.8
|
|
O
|
B:ASP337
|
4.9
|
22.7
|
1.0
|
|
Manganese binding site 5 out
of 8 in 8sma
Go back to
Manganese Binding Sites List in 8sma
Manganese binding site 5 out
of 8 in the Sfbo with Di-Manganese Cofactor
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Sfbo with Di-Manganese Cofactor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mn402
b:24.1
occ:0.79
|
NE2
|
G:HIS32
|
2.0
|
20.7
|
1.0
|
|
OD2
|
G:ASP30
|
2.0
|
16.5
|
1.0
|
|
OE1
|
G:GLU264
|
2.1
|
31.8
|
1.0
|
|
NE2
|
G:HIS207
|
2.2
|
19.3
|
1.0
|
|
OD1
|
G:ASP337
|
2.2
|
27.1
|
1.0
|
|
CG
|
G:ASP30
|
2.9
|
22.1
|
1.0
|
|
CE1
|
G:HIS32
|
2.9
|
21.1
|
1.0
|
|
CD2
|
G:HIS32
|
3.0
|
21.8
|
1.0
|
|
CE1
|
G:HIS207
|
3.1
|
18.0
|
1.0
|
|
OD1
|
G:ASP30
|
3.1
|
20.0
|
1.0
|
|
CG
|
G:ASP337
|
3.2
|
25.6
|
1.0
|
|
CD2
|
G:HIS207
|
3.2
|
19.3
|
1.0
|
|
CD
|
G:GLU264
|
3.3
|
23.4
|
1.0
|
|
MN
|
G:MN403
|
3.6
|
34.1
|
0.6
|
|
OD2
|
G:ASP337
|
3.9
|
23.4
|
1.0
|
|
OE2
|
G:GLU264
|
4.0
|
27.4
|
1.0
|
|
O
|
G:HOH540
|
4.1
|
21.3
|
1.0
|
|
ND1
|
G:HIS32
|
4.1
|
21.3
|
1.0
|
|
CB
|
G:ASP337
|
4.1
|
20.2
|
1.0
|
|
CG
|
G:HIS32
|
4.1
|
25.6
|
1.0
|
|
ND1
|
G:HIS207
|
4.2
|
16.3
|
1.0
|
|
CB
|
G:GLU264
|
4.3
|
19.8
|
1.0
|
|
CB
|
G:ASP30
|
4.3
|
17.6
|
1.0
|
|
CG
|
G:HIS207
|
4.3
|
23.0
|
1.0
|
|
O
|
G:HOH523
|
4.3
|
32.6
|
0.7
|
|
ND1
|
G:HIS340
|
4.3
|
32.8
|
1.0
|
|
CG
|
G:GLU264
|
4.4
|
24.8
|
1.0
|
|
CA
|
G:ASP337
|
4.4
|
21.8
|
1.0
|
|
CE1
|
G:HIS340
|
4.5
|
34.6
|
1.0
|
|
CG2
|
G:ILE263
|
4.7
|
27.8
|
1.0
|
|
O
|
G:HOH704
|
4.8
|
33.3
|
1.0
|
|
OE1
|
G:GLN308
|
5.0
|
23.9
|
1.0
|
|
Manganese binding site 6 out
of 8 in 8sma
Go back to
Manganese Binding Sites List in 8sma
Manganese binding site 6 out
of 8 in the Sfbo with Di-Manganese Cofactor
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Sfbo with Di-Manganese Cofactor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mn403
b:34.1
occ:0.61
|
O
|
G:HOH517
|
1.8
|
26.9
|
1.0
|
|
O
|
G:HOH523
|
2.1
|
32.6
|
0.7
|
|
OD2
|
G:ASP337
|
2.1
|
23.4
|
1.0
|
|
OE2
|
G:GLU264
|
2.2
|
27.4
|
1.0
|
|
ND1
|
G:HIS340
|
2.3
|
32.8
|
1.0
|
|
CG
|
G:ASP337
|
2.8
|
25.6
|
1.0
|
|
OD1
|
G:ASP337
|
2.8
|
27.1
|
1.0
|
|
OE1
|
G:GLU264
|
2.9
|
31.8
|
1.0
|
|
CD
|
G:GLU264
|
2.9
|
23.4
|
1.0
|
|
CE1
|
G:HIS340
|
3.2
|
34.6
|
1.0
|
|
CG
|
G:HIS340
|
3.3
|
33.2
|
1.0
|
|
MN
|
G:MN402
|
3.6
|
24.1
|
0.8
|
|
CB
|
G:HIS340
|
3.7
|
24.7
|
1.0
|
|
O4
|
G:SO4401
|
3.9
|
25.9
|
0.9
|
|
OD1
|
G:ASP342
|
4.0
|
32.8
|
1.0
|
|
O1
|
G:SO4401
|
4.1
|
31.1
|
0.9
|
|
NE2
|
G:HIS32
|
4.2
|
20.7
|
1.0
|
|
CB
|
G:ASP337
|
4.3
|
20.2
|
1.0
|
|
O
|
G:HOH519
|
4.3
|
24.4
|
1.0
|
|
O
|
G:HOH657
|
4.4
|
40.0
|
1.0
|
|
CE2
|
G:PHE208
|
4.4
|
21.4
|
1.0
|
|
NE2
|
G:HIS340
|
4.4
|
30.4
|
1.0
|
|
CG
|
G:GLU264
|
4.4
|
24.8
|
1.0
|
|
CD2
|
G:HIS340
|
4.5
|
34.9
|
1.0
|
|
O
|
G:HOH704
|
4.5
|
33.3
|
1.0
|
|
CD2
|
G:HIS32
|
4.6
|
21.8
|
1.0
|
|
S
|
G:SO4401
|
4.6
|
40.6
|
0.9
|
|
OD2
|
G:ASP342
|
4.7
|
29.7
|
1.0
|
|
CG
|
G:ASP342
|
4.8
|
33.4
|
1.0
|
|
CZ
|
G:PHE208
|
4.8
|
19.9
|
1.0
|
|
O
|
G:ASP337
|
4.8
|
22.0
|
1.0
|
|
CE1
|
G:HIS207
|
4.9
|
18.0
|
1.0
|
|
NE2
|
G:HIS207
|
4.9
|
19.3
|
1.0
|
|
NE2
|
G:GLN308
|
4.9
|
24.9
|
1.0
|
|
Manganese binding site 7 out
of 8 in 8sma
Go back to
Manganese Binding Sites List in 8sma
Manganese binding site 7 out
of 8 in the Sfbo with Di-Manganese Cofactor
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Sfbo with Di-Manganese Cofactor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn402
b:26.8
occ:0.86
|
OD2
|
J:ASP30
|
2.1
|
23.5
|
1.0
|
|
OE1
|
J:GLU264
|
2.1
|
24.3
|
1.0
|
|
NE2
|
J:HIS32
|
2.1
|
22.6
|
1.0
|
|
OD1
|
J:ASP337
|
2.2
|
26.3
|
1.0
|
|
NE2
|
J:HIS207
|
2.3
|
26.8
|
1.0
|
|
CG
|
J:ASP30
|
2.9
|
23.9
|
1.0
|
|
OD1
|
J:ASP30
|
3.0
|
23.5
|
1.0
|
|
CD2
|
J:HIS32
|
3.0
|
27.9
|
1.0
|
|
CE1
|
J:HIS32
|
3.1
|
30.8
|
1.0
|
|
CG
|
J:ASP337
|
3.2
|
26.7
|
1.0
|
|
CD2
|
J:HIS207
|
3.2
|
22.7
|
1.0
|
|
CD
|
J:GLU264
|
3.3
|
22.9
|
1.0
|
|
CE1
|
J:HIS207
|
3.4
|
25.0
|
1.0
|
|
MN
|
J:MN403
|
3.8
|
31.5
|
0.6
|
|
OD2
|
J:ASP337
|
3.9
|
27.0
|
1.0
|
|
OE2
|
J:GLU264
|
4.1
|
25.7
|
1.0
|
|
CB
|
J:ASP337
|
4.1
|
21.1
|
1.0
|
|
O
|
J:HOH548
|
4.1
|
20.9
|
1.0
|
|
CG
|
J:HIS32
|
4.2
|
23.7
|
1.0
|
|
ND1
|
J:HIS32
|
4.2
|
29.8
|
1.0
|
|
CB
|
J:GLU264
|
4.3
|
19.0
|
1.0
|
|
CB
|
J:ASP30
|
4.3
|
22.1
|
1.0
|
|
ND1
|
J:HIS340
|
4.4
|
28.4
|
1.0
|
|
CG
|
J:GLU264
|
4.4
|
23.3
|
1.0
|
|
CG
|
J:HIS207
|
4.4
|
18.2
|
1.0
|
|
CA
|
J:ASP337
|
4.4
|
24.4
|
1.0
|
|
CE1
|
J:HIS340
|
4.4
|
25.6
|
1.0
|
|
ND1
|
J:HIS207
|
4.4
|
20.3
|
1.0
|
|
CG2
|
J:ILE263
|
4.6
|
28.5
|
1.0
|
|
O
|
J:HOH692
|
4.8
|
30.6
|
1.0
|
|
O
|
J:HOH502
|
4.8
|
30.5
|
1.0
|
|
Manganese binding site 8 out
of 8 in 8sma
Go back to
Manganese Binding Sites List in 8sma
Manganese binding site 8 out
of 8 in the Sfbo with Di-Manganese Cofactor
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Sfbo with Di-Manganese Cofactor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mn403
b:31.5
occ:0.56
|
O
|
J:HOH501
|
1.9
|
24.4
|
1.0
|
|
ND1
|
J:HIS340
|
2.1
|
28.4
|
1.0
|
|
OD2
|
J:ASP337
|
2.1
|
27.0
|
1.0
|
|
O
|
J:HOH502
|
2.4
|
30.5
|
1.0
|
|
OE2
|
J:GLU264
|
2.4
|
25.7
|
1.0
|
|
CG
|
J:ASP337
|
2.8
|
26.7
|
1.0
|
|
OD1
|
J:ASP337
|
2.9
|
26.3
|
1.0
|
|
CE1
|
J:HIS340
|
3.1
|
25.6
|
1.0
|
|
OE1
|
J:GLU264
|
3.1
|
24.3
|
1.0
|
|
CD
|
J:GLU264
|
3.1
|
22.9
|
1.0
|
|
CG
|
J:HIS340
|
3.1
|
28.4
|
1.0
|
|
CB
|
J:HIS340
|
3.5
|
23.9
|
1.0
|
|
O2
|
J:SO4401
|
3.7
|
30.4
|
0.8
|
|
OD1
|
J:ASP342
|
3.8
|
26.3
|
1.0
|
|
MN
|
J:MN402
|
3.8
|
26.8
|
0.9
|
|
O
|
J:HOH504
|
4.1
|
25.2
|
1.0
|
|
O3
|
J:SO4401
|
4.2
|
33.5
|
0.8
|
|
NE2
|
J:HIS340
|
4.2
|
29.3
|
1.0
|
|
CD2
|
J:HIS340
|
4.3
|
29.8
|
1.0
|
|
O
|
J:HOH513
|
4.3
|
33.2
|
1.0
|
|
CB
|
J:ASP337
|
4.3
|
21.1
|
1.0
|
|
NE2
|
J:HIS32
|
4.4
|
22.6
|
1.0
|
|
S
|
J:SO4401
|
4.5
|
35.1
|
0.8
|
|
CE2
|
J:PHE208
|
4.5
|
20.8
|
1.0
|
|
CG
|
J:GLU264
|
4.6
|
23.3
|
1.0
|
|
CG
|
J:ASP342
|
4.6
|
30.6
|
1.0
|
|
OD2
|
J:ASP342
|
4.6
|
35.1
|
1.0
|
|
O
|
J:HOH692
|
4.6
|
30.6
|
1.0
|
|
CD2
|
J:HIS32
|
4.6
|
27.9
|
1.0
|
|
O
|
J:ASP337
|
4.8
|
24.3
|
1.0
|
|
NE2
|
J:GLN308
|
4.8
|
20.7
|
1.0
|
|
O4
|
J:SO4401
|
4.9
|
32.1
|
0.8
|
|
Reference:
C.Liu,
M.M.Powell,
G.Rao,
R.D.Britt,
J.Rittle.
Bioinformatic Discovery of A Cambialistic Monooxygenase. J.Am.Chem.Soc. V. 146 1783 2024.
ISSN: ESSN 1520-5126
PubMed: 38198693
DOI: 10.1021/JACS.3C12131
Page generated: Sun Oct 6 13:49:54 2024
|
