Cobalt in PDB 4met: Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations
Enzymatic activity of Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations
All present enzymatic activity of Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations:
4.1.1.2;
Protein crystallography data
The structure of Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations, PDB code: 4met
was solved by
P.Campomanes,
W.F.Kellett,
L.M.Easthon,
A.Ozarowski,
K.N.Allen,
A.Angerhofer,
U.Rothlisberger,
N.G.J.Richards,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.39 /
2.10
|
Space group
|
H 3 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
156.973,
156.973,
330.473,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
19.6 /
22.7
|
Cobalt Binding Sites:
The binding sites of Cobalt atom in the Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations
(pdb code 4met). This binding sites where shown within
5.0 Angstroms radius around Cobalt atom.
In total 8 binding sites of Cobalt where determined in the
Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations, PDB code: 4met:
Jump to Cobalt binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Cobalt binding site 1 out
of 8 in 4met
Go back to
Cobalt Binding Sites List in 4met
Cobalt binding site 1 out
of 8 in the Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co500
b:20.7
occ:1.00
|
OE1
|
A:GLU101
|
2.1
|
13.6
|
1.0
|
NE2
|
A:HIS95
|
2.1
|
12.9
|
1.0
|
NE2
|
A:HIS140
|
2.2
|
14.6
|
1.0
|
O
|
A:HOH691
|
2.3
|
17.8
|
1.0
|
NE2
|
A:HIS97
|
2.5
|
13.7
|
1.0
|
CE1
|
A:HIS97
|
2.5
|
14.6
|
1.0
|
O
|
A:HOH619
|
2.5
|
20.1
|
1.0
|
CD2
|
A:HIS140
|
3.0
|
14.9
|
1.0
|
CE1
|
A:HIS95
|
3.1
|
14.6
|
1.0
|
CD
|
A:GLU101
|
3.1
|
15.6
|
1.0
|
CD2
|
A:HIS95
|
3.2
|
15.0
|
1.0
|
CE1
|
A:HIS140
|
3.2
|
15.2
|
1.0
|
OE2
|
A:GLU101
|
3.4
|
17.3
|
1.0
|
ND1
|
A:HIS97
|
3.8
|
16.3
|
1.0
|
CD2
|
A:HIS97
|
3.8
|
14.8
|
1.0
|
ND1
|
A:HIS95
|
4.2
|
13.0
|
1.0
|
CG
|
A:HIS140
|
4.2
|
14.1
|
1.0
|
CG
|
A:HIS95
|
4.3
|
12.4
|
1.0
|
ND1
|
A:HIS140
|
4.3
|
13.7
|
1.0
|
CE2
|
A:PHE155
|
4.4
|
16.3
|
1.0
|
CG
|
A:HIS97
|
4.4
|
15.7
|
1.0
|
CG
|
A:GLU101
|
4.4
|
14.5
|
1.0
|
OE1
|
A:GLU162
|
4.5
|
23.8
|
1.0
|
CZ
|
A:PHE155
|
4.7
|
15.2
|
1.0
|
CB
|
A:GLU101
|
4.8
|
12.3
|
1.0
|
CD2
|
A:PHE134
|
4.8
|
15.8
|
1.0
|
|
Cobalt binding site 2 out
of 8 in 4met
Go back to
Cobalt Binding Sites List in 4met
Cobalt binding site 2 out
of 8 in the Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co501
b:19.4
occ:1.00
|
NE2
|
A:HIS275
|
2.0
|
13.2
|
1.0
|
OE1
|
A:GLU280
|
2.1
|
16.9
|
1.0
|
NE2
|
A:HIS273
|
2.2
|
14.1
|
1.0
|
O
|
A:HOH685
|
2.3
|
16.4
|
1.0
|
NE2
|
A:HIS319
|
2.3
|
13.3
|
1.0
|
O
|
A:HOH667
|
2.4
|
19.9
|
1.0
|
CE1
|
A:HIS275
|
2.9
|
13.3
|
1.0
|
CD2
|
A:HIS275
|
3.0
|
12.3
|
1.0
|
CD
|
A:GLU280
|
3.1
|
15.4
|
1.0
|
CE1
|
A:HIS273
|
3.2
|
14.0
|
1.0
|
CD2
|
A:HIS273
|
3.2
|
14.8
|
1.0
|
CE1
|
A:HIS319
|
3.2
|
12.0
|
1.0
|
CD2
|
A:HIS319
|
3.3
|
13.0
|
1.0
|
OE2
|
A:GLU280
|
3.5
|
13.7
|
1.0
|
OE2
|
A:GLU333
|
3.8
|
15.6
|
1.0
|
ND1
|
A:HIS275
|
4.0
|
14.7
|
1.0
|
CG
|
A:HIS275
|
4.1
|
14.6
|
1.0
|
ND1
|
A:HIS273
|
4.3
|
14.1
|
1.0
|
CG
|
A:HIS273
|
4.3
|
15.2
|
1.0
|
ND1
|
A:HIS319
|
4.3
|
13.5
|
1.0
|
CD
|
A:GLU333
|
4.4
|
16.4
|
1.0
|
CG
|
A:GLU280
|
4.4
|
12.8
|
1.0
|
CG
|
A:HIS319
|
4.4
|
11.5
|
1.0
|
CZ
|
A:PHE335
|
4.5
|
15.4
|
1.0
|
CB
|
A:GLU280
|
4.8
|
14.1
|
1.0
|
CE1
|
A:PHE335
|
4.8
|
14.6
|
1.0
|
OH
|
A:TYR340
|
4.8
|
25.5
|
1.0
|
OE1
|
A:GLU333
|
4.9
|
21.7
|
1.0
|
NH2
|
A:ARG270
|
5.0
|
18.0
|
1.0
|
CG
|
A:GLU333
|
5.0
|
14.7
|
1.0
|
|
Cobalt binding site 3 out
of 8 in 4met
Go back to
Cobalt Binding Sites List in 4met
Cobalt binding site 3 out
of 8 in the Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co500
b:17.2
occ:1.00
|
OE1
|
B:GLU101
|
2.1
|
12.6
|
1.0
|
NE2
|
B:HIS95
|
2.2
|
12.5
|
1.0
|
NE2
|
B:HIS140
|
2.2
|
10.8
|
1.0
|
O
|
B:HOH696
|
2.3
|
13.3
|
1.0
|
CE1
|
B:HIS97
|
2.4
|
12.6
|
1.0
|
NE2
|
B:HIS97
|
2.4
|
13.0
|
1.0
|
O
|
B:HOH705
|
2.5
|
16.9
|
1.0
|
CD
|
B:GLU101
|
3.0
|
11.0
|
1.0
|
CD2
|
B:HIS140
|
3.0
|
9.9
|
1.0
|
CE1
|
B:HIS95
|
3.1
|
12.3
|
1.0
|
CD2
|
B:HIS95
|
3.2
|
12.8
|
1.0
|
CE1
|
B:HIS140
|
3.3
|
13.2
|
1.0
|
OE2
|
B:GLU101
|
3.3
|
10.5
|
1.0
|
ND1
|
B:HIS97
|
3.7
|
13.5
|
1.0
|
CD2
|
B:HIS97
|
3.8
|
12.3
|
1.0
|
ND1
|
B:HIS95
|
4.2
|
11.3
|
1.0
|
CG
|
B:HIS140
|
4.2
|
11.8
|
1.0
|
CG
|
B:HIS95
|
4.3
|
11.2
|
1.0
|
ND1
|
B:HIS140
|
4.3
|
10.8
|
1.0
|
CG
|
B:HIS97
|
4.4
|
15.4
|
1.0
|
CE2
|
B:PHE155
|
4.4
|
13.1
|
1.0
|
CG
|
B:GLU101
|
4.4
|
15.3
|
1.0
|
OE2
|
B:GLU162
|
4.5
|
24.8
|
1.0
|
CZ
|
B:PHE155
|
4.7
|
12.2
|
1.0
|
CB
|
B:GLU101
|
4.8
|
9.7
|
1.0
|
CD2
|
B:PHE134
|
4.8
|
9.5
|
1.0
|
|
Cobalt binding site 4 out
of 8 in 4met
Go back to
Cobalt Binding Sites List in 4met
Cobalt binding site 4 out
of 8 in the Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 4 of Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co501
b:15.3
occ:1.00
|
NE2
|
B:HIS275
|
2.0
|
10.1
|
1.0
|
OE1
|
B:GLU280
|
2.1
|
10.6
|
1.0
|
O
|
B:HOH704
|
2.2
|
12.8
|
1.0
|
NE2
|
B:HIS273
|
2.2
|
9.4
|
1.0
|
NE2
|
B:HIS319
|
2.3
|
9.8
|
1.0
|
O
|
B:HOH716
|
2.3
|
15.0
|
1.0
|
CE1
|
B:HIS275
|
2.9
|
11.5
|
1.0
|
CD
|
B:GLU280
|
3.1
|
12.9
|
1.0
|
CE1
|
B:HIS319
|
3.1
|
10.0
|
1.0
|
CD2
|
B:HIS275
|
3.1
|
9.7
|
1.0
|
CD2
|
B:HIS273
|
3.2
|
11.6
|
1.0
|
CE1
|
B:HIS273
|
3.2
|
10.7
|
1.0
|
CD2
|
B:HIS319
|
3.3
|
10.2
|
1.0
|
OE2
|
B:GLU280
|
3.4
|
12.3
|
1.0
|
OE2
|
B:GLU333
|
4.0
|
13.4
|
1.0
|
ND1
|
B:HIS275
|
4.1
|
11.1
|
1.0
|
CG
|
B:HIS275
|
4.2
|
10.2
|
1.0
|
ND1
|
B:HIS319
|
4.3
|
9.5
|
1.0
|
ND1
|
B:HIS273
|
4.3
|
12.3
|
1.0
|
CG
|
B:HIS273
|
4.3
|
12.7
|
1.0
|
CG
|
B:HIS319
|
4.4
|
10.6
|
1.0
|
CG
|
B:GLU280
|
4.4
|
9.9
|
1.0
|
CD
|
B:GLU333
|
4.4
|
12.9
|
1.0
|
CZ
|
B:PHE335
|
4.5
|
11.4
|
1.0
|
CB
|
B:GLU280
|
4.7
|
9.6
|
1.0
|
CE1
|
B:PHE335
|
4.8
|
13.4
|
1.0
|
OH
|
B:TYR340
|
4.9
|
17.1
|
1.0
|
CG
|
B:GLU333
|
4.9
|
11.0
|
1.0
|
NH2
|
B:ARG270
|
5.0
|
16.3
|
1.0
|
|
Cobalt binding site 5 out
of 8 in 4met
Go back to
Cobalt Binding Sites List in 4met
Cobalt binding site 5 out
of 8 in the Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 5 of Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Co500
b:24.3
occ:1.00
|
OE1
|
C:GLU101
|
2.0
|
29.3
|
1.0
|
NE2
|
C:HIS97
|
2.1
|
24.9
|
1.0
|
NE2
|
C:HIS95
|
2.1
|
23.3
|
1.0
|
NE2
|
C:HIS140
|
2.2
|
24.9
|
1.0
|
O
|
C:HOH666
|
2.2
|
23.1
|
1.0
|
O
|
C:HOH679
|
2.7
|
30.4
|
1.0
|
CE1
|
C:HIS97
|
2.7
|
28.8
|
1.0
|
CE1
|
C:HIS95
|
2.9
|
26.5
|
1.0
|
CD
|
C:GLU101
|
3.0
|
27.3
|
1.0
|
CD2
|
C:HIS140
|
3.0
|
24.6
|
1.0
|
CD2
|
C:HIS95
|
3.3
|
24.2
|
1.0
|
CD2
|
C:HIS97
|
3.3
|
25.9
|
1.0
|
OE2
|
C:GLU101
|
3.3
|
26.3
|
1.0
|
CE1
|
C:HIS140
|
3.3
|
25.3
|
1.0
|
ND1
|
C:HIS97
|
4.0
|
30.8
|
1.0
|
ND1
|
C:HIS95
|
4.1
|
23.2
|
1.0
|
CG
|
C:HIS97
|
4.2
|
27.2
|
1.0
|
CE2
|
C:PHE155
|
4.2
|
25.2
|
1.0
|
CG
|
C:HIS140
|
4.2
|
26.2
|
1.0
|
CG
|
C:HIS95
|
4.3
|
23.0
|
1.0
|
ND1
|
C:HIS140
|
4.4
|
22.9
|
1.0
|
CG
|
C:GLU101
|
4.4
|
21.0
|
1.0
|
CZ
|
C:PHE155
|
4.6
|
23.3
|
1.0
|
CD2
|
C:PHE134
|
4.7
|
25.6
|
1.0
|
CB
|
C:GLU101
|
4.7
|
23.4
|
1.0
|
OE2
|
C:GLU162
|
4.9
|
31.2
|
1.0
|
CE2
|
C:PHE134
|
5.0
|
27.9
|
1.0
|
|
Cobalt binding site 6 out
of 8 in 4met
Go back to
Cobalt Binding Sites List in 4met
Cobalt binding site 6 out
of 8 in the Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 6 of Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Co501
b:22.6
occ:1.00
|
NE2
|
C:HIS275
|
2.0
|
23.4
|
1.0
|
OE1
|
C:GLU280
|
2.1
|
23.6
|
1.0
|
NE2
|
C:HIS273
|
2.2
|
22.3
|
1.0
|
O
|
C:HOH667
|
2.2
|
25.2
|
1.0
|
NE2
|
C:HIS319
|
2.3
|
20.0
|
1.0
|
O
|
C:HOH665
|
2.3
|
18.3
|
1.0
|
CE1
|
C:HIS275
|
3.0
|
25.8
|
1.0
|
CD2
|
C:HIS275
|
3.0
|
22.3
|
1.0
|
CD
|
C:GLU280
|
3.1
|
23.3
|
1.0
|
CE1
|
C:HIS319
|
3.1
|
21.4
|
1.0
|
CE1
|
C:HIS273
|
3.1
|
23.4
|
1.0
|
CD2
|
C:HIS273
|
3.2
|
24.7
|
1.0
|
CD2
|
C:HIS319
|
3.3
|
21.5
|
1.0
|
OE2
|
C:GLU280
|
3.4
|
23.1
|
1.0
|
OE2
|
C:GLU333
|
3.9
|
26.0
|
1.0
|
ND1
|
C:HIS275
|
4.1
|
25.9
|
1.0
|
CG
|
C:HIS275
|
4.1
|
24.0
|
1.0
|
ND1
|
C:HIS273
|
4.3
|
25.5
|
1.0
|
ND1
|
C:HIS319
|
4.3
|
22.2
|
1.0
|
CG
|
C:HIS273
|
4.3
|
24.9
|
1.0
|
CG
|
C:HIS319
|
4.4
|
19.8
|
1.0
|
CG
|
C:GLU280
|
4.4
|
21.9
|
1.0
|
CD
|
C:GLU333
|
4.5
|
24.7
|
1.0
|
CZ
|
C:PHE335
|
4.5
|
26.0
|
1.0
|
CE1
|
C:PHE335
|
4.6
|
25.9
|
1.0
|
CB
|
C:GLU280
|
4.7
|
21.8
|
1.0
|
OH
|
C:TYR340
|
4.9
|
29.9
|
1.0
|
OE1
|
C:GLU333
|
4.9
|
27.8
|
1.0
|
|
Cobalt binding site 7 out
of 8 in 4met
Go back to
Cobalt Binding Sites List in 4met
Cobalt binding site 7 out
of 8 in the Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 7 of Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Co500
b:20.9
occ:1.00
|
NE2
|
D:HIS97
|
1.9
|
24.5
|
1.0
|
NE2
|
D:HIS95
|
2.0
|
22.2
|
1.0
|
OE1
|
D:GLU101
|
2.1
|
17.8
|
1.0
|
NE2
|
D:HIS140
|
2.2
|
20.2
|
1.0
|
O
|
D:HOH690
|
2.3
|
24.2
|
1.0
|
O
|
D:HOH685
|
2.3
|
17.8
|
1.0
|
CE1
|
D:HIS97
|
2.7
|
26.0
|
1.0
|
CE1
|
D:HIS95
|
3.0
|
21.5
|
1.0
|
CD2
|
D:HIS140
|
3.1
|
19.0
|
1.0
|
CD
|
D:GLU101
|
3.1
|
20.9
|
1.0
|
CD2
|
D:HIS97
|
3.1
|
20.9
|
1.0
|
CD2
|
D:HIS95
|
3.1
|
21.0
|
1.0
|
CE1
|
D:HIS140
|
3.2
|
19.7
|
1.0
|
OE2
|
D:GLU101
|
3.4
|
18.6
|
1.0
|
ND1
|
D:HIS97
|
3.9
|
21.5
|
1.0
|
CG
|
D:HIS97
|
4.1
|
21.9
|
1.0
|
ND1
|
D:HIS95
|
4.1
|
17.2
|
1.0
|
CG
|
D:HIS95
|
4.2
|
22.5
|
1.0
|
CE2
|
D:PHE155
|
4.2
|
20.7
|
1.0
|
CG
|
D:HIS140
|
4.2
|
18.8
|
1.0
|
ND1
|
D:HIS140
|
4.3
|
19.7
|
1.0
|
CZ
|
D:PHE155
|
4.4
|
18.6
|
1.0
|
CG
|
D:GLU101
|
4.4
|
19.2
|
1.0
|
OE2
|
D:GLU162
|
4.8
|
25.1
|
1.0
|
CB
|
D:GLU101
|
4.8
|
17.3
|
1.0
|
CD2
|
D:PHE134
|
4.9
|
18.4
|
1.0
|
|
Cobalt binding site 8 out
of 8 in 4met
Go back to
Cobalt Binding Sites List in 4met
Cobalt binding site 8 out
of 8 in the Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 8 of Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Co501
b:18.3
occ:1.00
|
NE2
|
D:HIS275
|
2.1
|
16.6
|
1.0
|
OE1
|
D:GLU280
|
2.2
|
20.2
|
1.0
|
NE2
|
D:HIS273
|
2.2
|
17.2
|
1.0
|
NE2
|
D:HIS319
|
2.3
|
20.1
|
1.0
|
O
|
D:HOH671
|
2.3
|
16.5
|
1.0
|
O
|
D:HOH623
|
2.4
|
19.0
|
1.0
|
CD
|
D:GLU280
|
3.1
|
18.8
|
1.0
|
CD2
|
D:HIS275
|
3.1
|
17.8
|
1.0
|
CE1
|
D:HIS275
|
3.1
|
19.4
|
1.0
|
CE1
|
D:HIS273
|
3.1
|
17.8
|
1.0
|
CE1
|
D:HIS319
|
3.1
|
19.1
|
1.0
|
CD2
|
D:HIS273
|
3.2
|
20.5
|
1.0
|
CD2
|
D:HIS319
|
3.3
|
20.1
|
1.0
|
OE2
|
D:GLU280
|
3.3
|
19.1
|
1.0
|
OE2
|
D:GLU333
|
4.0
|
21.0
|
1.0
|
ND1
|
D:HIS275
|
4.2
|
16.8
|
1.0
|
CG
|
D:HIS275
|
4.2
|
19.4
|
1.0
|
ND1
|
D:HIS273
|
4.3
|
18.0
|
1.0
|
ND1
|
D:HIS319
|
4.3
|
16.3
|
1.0
|
CG
|
D:HIS273
|
4.3
|
21.1
|
1.0
|
CG
|
D:HIS319
|
4.4
|
17.1
|
1.0
|
CG
|
D:GLU280
|
4.4
|
18.3
|
1.0
|
CZ
|
D:PHE335
|
4.4
|
18.8
|
1.0
|
CD
|
D:GLU333
|
4.5
|
20.4
|
1.0
|
CE1
|
D:PHE335
|
4.6
|
19.1
|
1.0
|
CB
|
D:GLU280
|
4.7
|
17.2
|
1.0
|
OH
|
D:TYR340
|
4.9
|
23.1
|
1.0
|
|
Reference:
P.Campomanes,
W.F.Kellett,
L.M.Easthon,
A.Ozarowski,
K.N.Allen,
A.Angerhofer,
U.Rothlisberger,
N.G.Richards.
Assigning the Epr Fine Structure Parameters of the Mn(II) Centers in Bacillus Subtilis Oxalate Decarboxylase By Site-Directed Mutagenesis and Dft/Mm Calculations. J.Am.Chem.Soc. V. 136 2313 2014.
ISSN: ISSN 0002-7863
PubMed: 24444454
DOI: 10.1021/JA408138F
Page generated: Tue Jul 30 17:19:37 2024
|