Manganese in PDB 8j4x: Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
Enzymatic activity of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
All present enzymatic activity of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution:
1.17.4.1;
Protein crystallography data
The structure of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution, PDB code: 8j4x
was solved by
L.R.Yadav,
S.C.Mande,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.27 /
3.04
|
Space group
|
P 42 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
160.5,
160.5,
312.08,
90,
90,
90
|
R / Rfree (%)
|
21.9 /
25.4
|
Manganese Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Manganese atom in the Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
(pdb code 8j4x). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 12 binding sites of Manganese where determined in the
Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution, PDB code: 8j4x:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Manganese binding site 1 out
of 12 in 8j4x
Go back to
Manganese Binding Sites List in 8j4x
Manganese binding site 1 out
of 12 in the Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn1301
b:59.3
occ:1.00
|
OE2
|
A:GLU197
|
2.1
|
73.2
|
1.0
|
OE2
|
A:GLU103
|
2.1
|
48.4
|
1.0
|
OE1
|
A:GLU163
|
2.1
|
56.3
|
1.0
|
ND1
|
A:HIS200
|
2.3
|
39.3
|
1.0
|
CD
|
A:GLU163
|
2.8
|
69.7
|
1.0
|
CD
|
A:GLU197
|
2.8
|
74.7
|
1.0
|
OE2
|
A:GLU163
|
2.8
|
61.3
|
1.0
|
OE1
|
A:GLU197
|
3.0
|
82.7
|
1.0
|
CD
|
A:GLU103
|
3.1
|
58.1
|
1.0
|
CE1
|
A:HIS200
|
3.3
|
44.4
|
1.0
|
CG
|
A:HIS200
|
3.3
|
38.3
|
1.0
|
CB
|
A:HIS200
|
3.5
|
36.0
|
1.0
|
OE1
|
A:GLU103
|
3.7
|
62.7
|
1.0
|
MN
|
A:MN1302
|
3.9
|
102.4
|
1.0
|
CA
|
A:GLU197
|
4.1
|
41.3
|
1.0
|
CG
|
A:GLU197
|
4.1
|
54.8
|
1.0
|
CG
|
A:GLU103
|
4.2
|
48.9
|
1.0
|
CG
|
A:GLU163
|
4.2
|
56.0
|
1.0
|
NE2
|
A:HIS200
|
4.4
|
44.8
|
1.0
|
CD2
|
A:HIS200
|
4.4
|
37.0
|
1.0
|
CB
|
A:GLU197
|
4.5
|
44.2
|
1.0
|
CG2
|
A:ILE99
|
4.6
|
34.5
|
1.0
|
CG
|
A:GLN75
|
4.6
|
37.7
|
1.0
|
N
|
A:GLU197
|
4.7
|
40.9
|
1.0
|
CB
|
A:GLU163
|
4.7
|
36.2
|
1.0
|
O
|
A:ASP196
|
4.9
|
45.6
|
1.0
|
CE1
|
A:HIS106
|
4.9
|
41.4
|
1.0
|
ND1
|
A:HIS106
|
5.0
|
41.5
|
1.0
|
O
|
A:GLU197
|
5.0
|
40.3
|
1.0
|
|
Manganese binding site 2 out
of 12 in 8j4x
Go back to
Manganese Binding Sites List in 8j4x
Manganese binding site 2 out
of 12 in the Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn1302
b:102.4
occ:1.00
|
ND1
|
A:HIS106
|
2.3
|
41.5
|
1.0
|
OD1
|
A:ASP72
|
2.3
|
54.9
|
1.0
|
OE1
|
A:GLU103
|
2.4
|
62.7
|
1.0
|
OE2
|
A:GLU197
|
2.5
|
73.2
|
1.0
|
CD
|
A:GLU197
|
2.9
|
74.7
|
1.0
|
CE1
|
A:HIS106
|
3.2
|
41.4
|
1.0
|
CD
|
A:GLU103
|
3.3
|
58.1
|
1.0
|
CG
|
A:HIS106
|
3.3
|
42.5
|
1.0
|
OE1
|
A:GLU197
|
3.3
|
82.7
|
1.0
|
CG
|
A:ASP72
|
3.4
|
60.4
|
1.0
|
CB
|
A:HIS106
|
3.6
|
43.0
|
1.0
|
OE2
|
A:GLU103
|
3.6
|
48.4
|
1.0
|
CZ
|
A:PHE167
|
3.7
|
63.2
|
1.0
|
CG
|
A:GLU197
|
3.8
|
54.8
|
1.0
|
HO
|
A:OH1303
|
3.9
|
60.7
|
1.0
|
MN
|
A:MN1301
|
3.9
|
59.3
|
1.0
|
OD2
|
A:ASP72
|
4.0
|
69.0
|
1.0
|
CE1
|
A:PHE167
|
4.0
|
55.7
|
1.0
|
CG2
|
A:ILE193
|
4.1
|
44.7
|
1.0
|
NE2
|
A:HIS106
|
4.4
|
49.8
|
1.0
|
CE2
|
A:PHE167
|
4.4
|
65.3
|
1.0
|
CD2
|
A:HIS106
|
4.4
|
49.7
|
1.0
|
CG
|
A:GLU103
|
4.6
|
48.9
|
1.0
|
O
|
A:OH1303
|
4.6
|
50.2
|
1.0
|
CB
|
A:ASP72
|
4.6
|
42.5
|
1.0
|
CA
|
A:GLU103
|
4.6
|
42.0
|
1.0
|
CD1
|
A:PHE167
|
4.8
|
44.7
|
1.0
|
CB
|
A:GLU103
|
4.9
|
37.6
|
1.0
|
OE1
|
A:GLU163
|
5.0
|
56.3
|
1.0
|
|
Manganese binding site 3 out
of 12 in 8j4x
Go back to
Manganese Binding Sites List in 8j4x
Manganese binding site 3 out
of 12 in the Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn1301
b:86.2
occ:1.00
|
OD2
|
B:ASP72
|
2.3
|
60.3
|
1.0
|
OE2
|
B:GLU197
|
2.5
|
68.8
|
1.0
|
ND1
|
B:HIS106
|
2.6
|
44.1
|
1.0
|
OE1
|
B:GLU103
|
2.6
|
54.9
|
1.0
|
CD
|
B:GLU197
|
2.9
|
63.4
|
1.0
|
CG
|
B:ASP72
|
3.3
|
57.9
|
1.0
|
CD
|
B:GLU103
|
3.4
|
48.4
|
1.0
|
OE1
|
B:GLU197
|
3.4
|
75.4
|
1.0
|
CE1
|
B:HIS106
|
3.4
|
31.3
|
1.0
|
OE2
|
B:GLU103
|
3.5
|
53.8
|
1.0
|
CG
|
B:GLU197
|
3.5
|
45.6
|
1.0
|
CZ
|
B:PHE167
|
3.6
|
52.5
|
1.0
|
CE2
|
B:PHE167
|
3.6
|
44.2
|
1.0
|
CG
|
B:HIS106
|
3.6
|
39.1
|
1.0
|
OD1
|
B:ASP72
|
3.7
|
67.9
|
1.0
|
MN
|
B:MN1302
|
3.9
|
56.9
|
1.0
|
CB
|
B:HIS106
|
4.0
|
26.2
|
1.0
|
CG2
|
B:ILE193
|
4.0
|
44.0
|
1.0
|
O
|
B:OH1303
|
4.2
|
52.3
|
1.0
|
CE1
|
B:PHE167
|
4.4
|
62.8
|
1.0
|
CD2
|
B:PHE167
|
4.5
|
46.1
|
1.0
|
NE2
|
B:HIS106
|
4.6
|
27.4
|
1.0
|
CB
|
B:ASP72
|
4.6
|
34.5
|
1.0
|
CD2
|
B:HIS106
|
4.7
|
41.7
|
1.0
|
CG
|
B:GLU103
|
4.7
|
41.3
|
1.0
|
CA
|
B:GLU103
|
4.8
|
37.6
|
1.0
|
HO
|
B:OH1303
|
5.0
|
63.1
|
1.0
|
CA
|
B:ASP72
|
5.0
|
42.7
|
1.0
|
CB
|
B:GLU197
|
5.0
|
36.5
|
1.0
|
OE1
|
B:GLU163
|
5.0
|
67.2
|
1.0
|
|
Manganese binding site 4 out
of 12 in 8j4x
Go back to
Manganese Binding Sites List in 8j4x
Manganese binding site 4 out
of 12 in the Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn1302
b:56.9
occ:1.00
|
OE1
|
B:GLU163
|
2.0
|
67.2
|
1.0
|
OE2
|
B:GLU103
|
2.0
|
53.8
|
1.0
|
OE2
|
B:GLU197
|
2.1
|
68.8
|
1.0
|
ND1
|
B:HIS200
|
2.5
|
37.5
|
1.0
|
CD
|
B:GLU197
|
2.8
|
63.4
|
1.0
|
CD
|
B:GLU163
|
2.9
|
71.3
|
1.0
|
OE1
|
B:GLU197
|
2.9
|
75.4
|
1.0
|
CD
|
B:GLU103
|
3.2
|
48.4
|
1.0
|
OE2
|
B:GLU163
|
3.3
|
73.1
|
1.0
|
CG
|
B:HIS200
|
3.3
|
35.5
|
1.0
|
CB
|
B:HIS200
|
3.4
|
40.7
|
1.0
|
CE1
|
B:HIS200
|
3.5
|
30.2
|
1.0
|
OE1
|
B:GLU103
|
3.8
|
54.9
|
1.0
|
MN
|
B:MN1301
|
3.9
|
86.2
|
1.0
|
CG
|
B:GLU197
|
4.1
|
45.6
|
1.0
|
CG
|
B:GLU163
|
4.2
|
59.1
|
1.0
|
CA
|
B:GLU197
|
4.2
|
38.9
|
1.0
|
CB
|
B:GLU163
|
4.3
|
43.1
|
1.0
|
CG
|
B:GLN75
|
4.4
|
31.1
|
1.0
|
CG
|
B:GLU103
|
4.4
|
41.3
|
1.0
|
CD2
|
B:HIS200
|
4.5
|
38.4
|
1.0
|
NE2
|
B:HIS200
|
4.6
|
41.7
|
1.0
|
CB
|
B:GLU197
|
4.6
|
36.5
|
1.0
|
CG2
|
B:ILE99
|
4.8
|
23.3
|
1.0
|
N
|
B:GLU197
|
4.9
|
40.8
|
1.0
|
CA
|
B:HIS200
|
4.9
|
38.9
|
1.0
|
O
|
B:GLU197
|
5.0
|
43.4
|
1.0
|
|
Manganese binding site 5 out
of 12 in 8j4x
Go back to
Manganese Binding Sites List in 8j4x
Manganese binding site 5 out
of 12 in the Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn1301
b:60.1
occ:1.00
|
OE2
|
C:GLU103
|
2.0
|
50.6
|
1.0
|
OE1
|
C:GLU163
|
2.0
|
54.1
|
1.0
|
OE2
|
C:GLU197
|
2.4
|
56.1
|
1.0
|
ND1
|
C:HIS200
|
2.5
|
46.4
|
1.0
|
OE1
|
C:GLU197
|
2.7
|
69.7
|
1.0
|
CD
|
C:GLU197
|
2.8
|
60.5
|
1.0
|
CD
|
C:GLU163
|
2.9
|
59.0
|
1.0
|
CD
|
C:GLU103
|
3.0
|
50.1
|
1.0
|
OE2
|
C:GLU163
|
3.2
|
62.7
|
1.0
|
CE1
|
C:HIS200
|
3.4
|
43.3
|
1.0
|
CG
|
C:HIS200
|
3.4
|
42.6
|
1.0
|
OE1
|
C:GLU103
|
3.6
|
60.0
|
1.0
|
CB
|
C:HIS200
|
3.7
|
36.4
|
1.0
|
CG
|
C:GLU103
|
4.1
|
32.2
|
1.0
|
CG
|
C:GLN75
|
4.2
|
30.6
|
1.0
|
MN
|
C:MN1302
|
4.3
|
87.4
|
1.0
|
CG
|
C:GLU163
|
4.3
|
58.4
|
1.0
|
CG
|
C:GLU197
|
4.3
|
47.9
|
1.0
|
CA
|
C:GLU197
|
4.4
|
40.8
|
1.0
|
CG2
|
C:ILE99
|
4.5
|
31.5
|
1.0
|
NE2
|
C:HIS200
|
4.6
|
48.3
|
1.0
|
CB
|
C:GLU163
|
4.6
|
40.6
|
1.0
|
CD2
|
C:HIS200
|
4.6
|
48.2
|
1.0
|
CE2
|
C:PHE167
|
4.7
|
49.0
|
1.0
|
CB
|
C:GLU197
|
4.7
|
49.3
|
1.0
|
|
Manganese binding site 6 out
of 12 in 8j4x
Go back to
Manganese Binding Sites List in 8j4x
Manganese binding site 6 out
of 12 in the Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn1302
b:87.4
occ:1.00
|
OD1
|
C:ASP72
|
2.1
|
64.9
|
1.0
|
ND1
|
C:HIS106
|
2.5
|
39.3
|
1.0
|
CG
|
C:ASP72
|
3.0
|
54.4
|
1.0
|
OE2
|
C:GLU197
|
3.1
|
56.1
|
1.0
|
CD
|
C:GLU197
|
3.1
|
60.5
|
1.0
|
OD2
|
C:ASP72
|
3.2
|
66.2
|
1.0
|
OE1
|
C:GLU197
|
3.3
|
69.7
|
1.0
|
OE1
|
C:GLU103
|
3.3
|
60.0
|
1.0
|
CG
|
C:HIS106
|
3.3
|
49.7
|
1.0
|
CE1
|
C:HIS106
|
3.4
|
43.6
|
1.0
|
OE2
|
C:GLU103
|
3.5
|
50.6
|
1.0
|
CG2
|
C:ILE193
|
3.5
|
47.1
|
1.0
|
CB
|
C:HIS106
|
3.5
|
36.2
|
1.0
|
HO
|
C:OH1304
|
3.6
|
49.4
|
1.0
|
CZ
|
C:PHE167
|
3.7
|
57.3
|
1.0
|
CD
|
C:GLU103
|
3.7
|
50.1
|
1.0
|
CG
|
C:GLU197
|
3.9
|
47.9
|
1.0
|
O
|
C:OH1304
|
3.9
|
40.9
|
1.0
|
CE2
|
C:PHE167
|
4.0
|
49.0
|
1.0
|
CE1
|
C:PHE167
|
4.1
|
45.8
|
1.0
|
MN
|
C:MN1301
|
4.3
|
60.1
|
1.0
|
CB
|
C:ASP72
|
4.4
|
32.5
|
1.0
|
CD2
|
C:HIS106
|
4.5
|
59.2
|
1.0
|
NE2
|
C:HIS106
|
4.5
|
57.2
|
1.0
|
CD2
|
C:PHE167
|
4.8
|
44.8
|
1.0
|
CD1
|
C:PHE167
|
4.8
|
44.0
|
1.0
|
CA
|
C:ASP72
|
4.9
|
33.0
|
1.0
|
CB
|
C:ILE193
|
4.9
|
48.9
|
1.0
|
CA
|
C:GLU103
|
5.0
|
31.1
|
1.0
|
|
Manganese binding site 7 out
of 12 in 8j4x
Go back to
Manganese Binding Sites List in 8j4x
Manganese binding site 7 out
of 12 in the Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn1301
b:95.5
occ:1.00
|
ND1
|
D:HIS106
|
2.4
|
38.0
|
1.0
|
OD1
|
D:ASP72
|
2.4
|
57.3
|
1.0
|
OE2
|
D:GLU197
|
2.6
|
56.4
|
1.0
|
CD
|
D:GLU197
|
2.8
|
64.6
|
1.0
|
OE1
|
D:GLU103
|
3.0
|
52.4
|
1.0
|
CE1
|
D:HIS106
|
3.2
|
45.5
|
1.0
|
OE1
|
D:GLU197
|
3.3
|
72.2
|
1.0
|
OE2
|
D:GLU103
|
3.4
|
63.4
|
1.0
|
CG
|
D:ASP72
|
3.4
|
45.3
|
1.0
|
CG
|
D:HIS106
|
3.4
|
32.1
|
1.0
|
CG
|
D:GLU197
|
3.4
|
50.9
|
1.0
|
CD
|
D:GLU103
|
3.5
|
57.9
|
1.0
|
OD2
|
D:ASP72
|
3.7
|
57.5
|
1.0
|
CG2
|
D:ILE193
|
3.8
|
36.1
|
1.0
|
CB
|
D:HIS106
|
3.8
|
29.9
|
1.0
|
CZ
|
D:PHE167
|
3.8
|
64.7
|
1.0
|
MN
|
D:MN1302
|
4.0
|
56.7
|
1.0
|
CE1
|
D:PHE167
|
4.1
|
51.8
|
1.0
|
HO
|
D:OH1303
|
4.2
|
65.0
|
1.0
|
O
|
D:OH1303
|
4.3
|
53.9
|
1.0
|
CE2
|
D:PHE167
|
4.3
|
63.1
|
1.0
|
NE2
|
D:HIS106
|
4.4
|
45.9
|
1.0
|
CD2
|
D:HIS106
|
4.5
|
52.7
|
1.0
|
CB
|
D:ASP72
|
4.7
|
34.2
|
1.0
|
CD1
|
D:PHE167
|
4.8
|
46.0
|
1.0
|
CG
|
D:GLU103
|
4.8
|
39.7
|
1.0
|
CB
|
D:GLU197
|
4.9
|
34.6
|
1.0
|
CA
|
D:GLU103
|
4.9
|
31.4
|
1.0
|
CD2
|
D:PHE167
|
4.9
|
50.3
|
1.0
|
|
Manganese binding site 8 out
of 12 in 8j4x
Go back to
Manganese Binding Sites List in 8j4x
Manganese binding site 8 out
of 12 in the Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn1302
b:56.7
occ:1.00
|
OE2
|
D:GLU103
|
2.1
|
63.4
|
1.0
|
OE2
|
D:GLU197
|
2.3
|
56.4
|
1.0
|
ND1
|
D:HIS200
|
2.6
|
32.9
|
1.0
|
OE1
|
D:GLU197
|
2.6
|
72.2
|
1.0
|
CD
|
D:GLU197
|
2.7
|
64.6
|
1.0
|
CD
|
D:GLU103
|
3.0
|
57.9
|
1.0
|
OE2
|
D:GLU163
|
3.1
|
66.9
|
1.0
|
CG
|
D:GLU163
|
3.2
|
58.1
|
1.0
|
CD
|
D:GLU163
|
3.2
|
66.7
|
1.0
|
CG
|
D:HIS200
|
3.4
|
40.7
|
1.0
|
OE1
|
D:GLU103
|
3.5
|
52.4
|
1.0
|
CB
|
D:HIS200
|
3.5
|
34.6
|
1.0
|
CE1
|
D:HIS200
|
3.6
|
34.2
|
1.0
|
CB
|
D:GLU163
|
4.0
|
37.2
|
1.0
|
MN
|
D:MN1301
|
4.0
|
95.5
|
1.0
|
OE1
|
D:GLU163
|
4.1
|
81.2
|
1.0
|
CG
|
D:GLU103
|
4.2
|
39.7
|
1.0
|
CG
|
D:GLU197
|
4.2
|
50.9
|
1.0
|
CG
|
D:GLN75
|
4.3
|
31.2
|
1.0
|
CA
|
D:GLU197
|
4.4
|
38.1
|
1.0
|
CG2
|
D:ILE99
|
4.6
|
28.6
|
1.0
|
CD2
|
D:HIS200
|
4.6
|
37.8
|
1.0
|
CB
|
D:GLU197
|
4.7
|
34.6
|
1.0
|
NE2
|
D:HIS200
|
4.7
|
43.7
|
1.0
|
CE2
|
D:PHE167
|
4.8
|
63.1
|
1.0
|
NE2
|
D:GLN75
|
4.8
|
50.5
|
1.0
|
CA
|
D:GLU163
|
4.9
|
37.9
|
1.0
|
|
Manganese binding site 9 out
of 12 in 8j4x
Go back to
Manganese Binding Sites List in 8j4x
Manganese binding site 9 out
of 12 in the Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 9 of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn1301
b:95.4
occ:1.00
|
OE2
|
E:GLU163
|
1.9
|
90.0
|
1.0
|
OE2
|
E:GLU103
|
2.0
|
89.1
|
1.0
|
ND1
|
E:HIS200
|
2.4
|
78.2
|
1.0
|
OE2
|
E:GLU197
|
2.4
|
92.9
|
1.0
|
CD
|
E:GLU163
|
2.7
|
90.4
|
1.0
|
OE1
|
E:GLU163
|
2.9
|
80.8
|
1.0
|
CD
|
E:GLU197
|
3.0
|
99.3
|
1.0
|
OE1
|
E:GLU197
|
3.0
|
109.7
|
1.0
|
CG
|
E:HIS200
|
3.2
|
77.6
|
1.0
|
CD
|
E:GLU103
|
3.2
|
86.9
|
1.0
|
CB
|
E:HIS200
|
3.4
|
75.6
|
1.0
|
CE1
|
E:HIS200
|
3.4
|
79.4
|
1.0
|
OE1
|
E:GLU103
|
4.0
|
93.3
|
1.0
|
MN
|
E:MN1302
|
4.1
|
120.5
|
1.0
|
CG
|
E:GLU163
|
4.1
|
84.2
|
1.0
|
CA
|
E:GLU197
|
4.2
|
82.1
|
1.0
|
CG
|
E:GLU103
|
4.2
|
69.6
|
1.0
|
CG
|
E:GLU197
|
4.3
|
80.1
|
1.0
|
CD2
|
E:HIS200
|
4.4
|
80.5
|
1.0
|
CB
|
E:GLU163
|
4.5
|
68.8
|
1.0
|
NE2
|
E:HIS200
|
4.5
|
81.5
|
1.0
|
CG2
|
E:ILE99
|
4.5
|
70.8
|
1.0
|
CG
|
E:GLN75
|
4.6
|
62.2
|
1.0
|
CB
|
E:GLU197
|
4.7
|
81.2
|
1.0
|
O
|
E:GLU197
|
4.9
|
80.3
|
1.0
|
CA
|
E:HIS200
|
4.9
|
77.7
|
1.0
|
N
|
E:GLU197
|
4.9
|
85.9
|
1.0
|
|
Manganese binding site 10 out
of 12 in 8j4x
Go back to
Manganese Binding Sites List in 8j4x
Manganese binding site 10 out
of 12 in the Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 10 of Structure of Mycobacterium Tuberculosis NRDF2:Nrdicomplex (Oxidised) Determined at 3 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn1302
b:120.5
occ:1.00
|
OD2
|
E:ASP72
|
2.1
|
91.7
|
1.0
|
OE2
|
E:GLU197
|
2.6
|
92.9
|
1.0
|
CD2
|
E:HIS106
|
2.7
|
81.6
|
1.0
|
OE1
|
E:GLU103
|
2.9
|
93.3
|
1.0
|
CD
|
E:GLU197
|
2.9
|
99.3
|
1.0
|
OE2
|
E:GLU103
|
3.1
|
89.1
|
1.0
|
OE1
|
E:GLU197
|
3.2
|
109.7
|
1.0
|
CG
|
E:ASP72
|
3.3
|
90.5
|
1.0
|
CD
|
E:GLU103
|
3.3
|
86.9
|
1.0
|
CG
|
E:HIS106
|
3.5
|
83.5
|
1.0
|
NE2
|
E:HIS106
|
3.7
|
84.7
|
1.0
|
CZ
|
E:PHE167
|
3.8
|
83.2
|
1.0
|
OD1
|
E:ASP72
|
3.8
|
91.0
|
1.0
|
CB
|
E:HIS106
|
3.8
|
82.2
|
1.0
|
CG
|
E:GLU197
|
3.9
|
80.1
|
1.0
|
CG2
|
E:ILE193
|
4.0
|
86.8
|
1.0
|
MN
|
E:MN1301
|
4.1
|
95.4
|
1.0
|
CE2
|
E:PHE167
|
4.1
|
87.4
|
1.0
|
HO
|
E:OH1303
|
4.1
|
105.4
|
1.0
|
CE1
|
E:PHE167
|
4.3
|
75.0
|
1.0
|
CB
|
E:ASP72
|
4.5
|
76.8
|
1.0
|
CG
|
E:GLU103
|
4.6
|
69.6
|
1.0
|
O
|
E:OH1303
|
4.6
|
87.5
|
1.0
|
ND1
|
E:HIS106
|
4.6
|
87.8
|
1.0
|
CA
|
E:GLU103
|
4.7
|
74.1
|
1.0
|
CE1
|
E:HIS106
|
4.7
|
88.4
|
1.0
|
CD2
|
E:PHE167
|
4.8
|
73.5
|
1.0
|
OE2
|
E:GLU163
|
4.9
|
90.0
|
1.0
|
CA
|
E:ASP72
|
4.9
|
67.9
|
1.0
|
CB
|
E:GLU103
|
5.0
|
70.9
|
1.0
|
|
Reference:
L.R.Yadav,
V.Sharma,
M.Shanmugam,
S.C.Mande.
Structural Insights Into the Initiation of Free Radical Formation in the Class Ib Ribonucleotide Reductases in Mycobacteria Curr Res Struct Biol V. 8 00157 2024.
ISSN: ESSN 2665-928X
DOI: 10.1016/J.CRSTBI.2024.100157
Page generated: Thu Oct 31 22:42:47 2024
|