Cobalt in PDB 8sse: Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8
Enzymatic activity of Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8
All present enzymatic activity of Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8:
2.1.1.13;
Protein crystallography data
The structure of Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8, PDB code: 8sse
was solved by
K.Yamada,
J.Mendoza,
M.Koutmos,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.30 /
3.15
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
166.135,
95.844,
238.745,
90,
91.96,
90
|
R / Rfree (%)
|
24.5 /
30.7
|
Cobalt Binding Sites:
The binding sites of Cobalt atom in the Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8
(pdb code 8sse). This binding sites where shown within
5.0 Angstroms radius around Cobalt atom.
In total 6 binding sites of Cobalt where determined in the
Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8, PDB code: 8sse:
Jump to Cobalt binding site number:
1;
2;
3;
4;
5;
6;
Cobalt binding site 1 out
of 6 in 8sse
Go back to
Cobalt Binding Sites List in 8sse
Cobalt binding site 1 out
of 6 in the Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co1201
b:48.7
occ:1.00
|
CO
|
A:B121201
|
0.0
|
48.7
|
1.0
|
N24
|
A:B121201
|
1.9
|
48.3
|
1.0
|
N23
|
A:B121201
|
1.9
|
50.2
|
1.0
|
N21
|
A:B121201
|
1.9
|
45.1
|
1.0
|
N22
|
A:B121201
|
1.9
|
51.7
|
1.0
|
C9
|
A:B121201
|
2.8
|
53.7
|
1.0
|
C19
|
A:B121201
|
2.8
|
48.7
|
1.0
|
C16
|
A:B121201
|
2.9
|
47.9
|
1.0
|
C1
|
A:B121201
|
2.9
|
45.0
|
1.0
|
C14
|
A:B121201
|
2.9
|
49.1
|
1.0
|
C4
|
A:B121201
|
2.9
|
43.9
|
1.0
|
C11
|
A:B121201
|
2.9
|
51.8
|
1.0
|
C6
|
A:B121201
|
3.0
|
46.4
|
1.0
|
C10
|
A:B121201
|
3.2
|
54.2
|
1.0
|
C15
|
A:B121201
|
3.3
|
47.1
|
1.0
|
C5
|
A:B121201
|
3.3
|
44.1
|
1.0
|
C20
|
A:B121201
|
3.5
|
46.8
|
1.0
|
OH
|
A:TYR1132
|
3.9
|
60.8
|
1.0
|
C8
|
A:B121201
|
4.0
|
49.6
|
1.0
|
C18
|
A:B121201
|
4.1
|
50.2
|
1.0
|
C2
|
A:B121201
|
4.1
|
46.0
|
1.0
|
C13
|
A:B121201
|
4.1
|
55.0
|
1.0
|
C41
|
A:B121201
|
4.1
|
49.9
|
1.0
|
C3
|
A:B121201
|
4.2
|
46.5
|
1.0
|
C17
|
A:B121201
|
4.2
|
48.7
|
1.0
|
C12
|
A:B121201
|
4.2
|
52.4
|
1.0
|
C7
|
A:B121201
|
4.2
|
48.2
|
1.0
|
O
|
A:HOH1312
|
4.4
|
30.7
|
1.0
|
C26
|
A:B121201
|
4.5
|
46.7
|
1.0
|
C48
|
A:B121201
|
4.5
|
68.3
|
1.0
|
C35
|
A:B121201
|
4.7
|
47.0
|
1.0
|
C53
|
A:B121201
|
4.7
|
49.6
|
1.0
|
C54
|
A:B121201
|
4.7
|
47.3
|
1.0
|
CZ
|
A:TYR1132
|
4.8
|
56.0
|
1.0
|
C37
|
A:B121201
|
4.9
|
50.3
|
1.0
|
C46
|
A:B121201
|
4.9
|
53.7
|
1.0
|
CE2
|
A:TYR1132
|
4.9
|
64.3
|
1.0
|
|
Cobalt binding site 2 out
of 6 in 8sse
Go back to
Cobalt Binding Sites List in 8sse
Cobalt binding site 2 out
of 6 in the Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co1201
b:77.9
occ:1.00
|
CO
|
B:B121201
|
0.0
|
77.9
|
1.0
|
N23
|
B:B121201
|
1.8
|
78.6
|
1.0
|
N21
|
B:B121201
|
1.9
|
68.2
|
1.0
|
N24
|
B:B121201
|
1.9
|
79.5
|
1.0
|
N22
|
B:B121201
|
1.9
|
77.7
|
1.0
|
C9
|
B:B121201
|
2.8
|
80.0
|
1.0
|
C14
|
B:B121201
|
2.8
|
77.9
|
1.0
|
C11
|
B:B121201
|
2.8
|
91.0
|
1.0
|
C19
|
B:B121201
|
2.9
|
73.2
|
1.0
|
C1
|
B:B121201
|
2.9
|
65.8
|
1.0
|
C4
|
B:B121201
|
2.9
|
63.8
|
1.0
|
C16
|
B:B121201
|
2.9
|
79.1
|
1.0
|
C6
|
B:B121201
|
3.0
|
66.0
|
1.0
|
O
|
B:HOH1315
|
3.1
|
42.1
|
1.0
|
C10
|
B:B121201
|
3.2
|
84.9
|
1.0
|
C15
|
B:B121201
|
3.3
|
74.3
|
1.0
|
C5
|
B:B121201
|
3.3
|
58.2
|
1.0
|
C20
|
B:B121201
|
3.5
|
58.7
|
1.0
|
O
|
B:HOH1326
|
3.7
|
36.7
|
1.0
|
C13
|
B:B121201
|
4.0
|
93.4
|
1.0
|
C8
|
B:B121201
|
4.0
|
71.7
|
1.0
|
C2
|
B:B121201
|
4.1
|
77.2
|
1.0
|
C18
|
B:B121201
|
4.1
|
76.2
|
1.0
|
C12
|
B:B121201
|
4.2
|
98.8
|
1.0
|
C3
|
B:B121201
|
4.2
|
70.6
|
1.0
|
OH
|
B:TYR1132
|
4.2
|
92.3
|
1.0
|
C17
|
B:B121201
|
4.2
|
73.6
|
1.0
|
C41
|
B:B121201
|
4.2
|
77.6
|
1.0
|
C7
|
B:B121201
|
4.2
|
71.7
|
1.0
|
C48
|
B:B121201
|
4.3
|
96.2
|
1.0
|
C26
|
B:B121201
|
4.4
|
94.7
|
1.0
|
C35
|
B:B121201
|
4.7
|
56.3
|
1.0
|
C54
|
B:B121201
|
4.7
|
64.5
|
1.0
|
C53
|
B:B121201
|
4.7
|
70.9
|
1.0
|
C37
|
B:B121201
|
4.9
|
78.6
|
1.0
|
C46
|
B:B121201
|
4.9
|
96.7
|
1.0
|
CZ
|
B:TYR1132
|
4.9
|
75.1
|
1.0
|
C42
|
B:B121201
|
5.0
|
76.2
|
1.0
|
|
Cobalt binding site 3 out
of 6 in 8sse
Go back to
Cobalt Binding Sites List in 8sse
Cobalt binding site 3 out
of 6 in the Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Co1201
b:48.2
occ:1.00
|
CO
|
C:B121201
|
0.0
|
48.2
|
1.0
|
N21
|
C:B121201
|
1.8
|
47.1
|
1.0
|
N23
|
C:B121201
|
1.9
|
46.4
|
1.0
|
N24
|
C:B121201
|
1.9
|
49.4
|
1.0
|
N22
|
C:B121201
|
1.9
|
50.4
|
1.0
|
C19
|
C:B121201
|
2.8
|
49.9
|
1.0
|
C9
|
C:B121201
|
2.8
|
51.2
|
1.0
|
C4
|
C:B121201
|
2.8
|
46.1
|
1.0
|
C14
|
C:B121201
|
2.9
|
47.0
|
1.0
|
C1
|
C:B121201
|
2.9
|
48.8
|
1.0
|
C11
|
C:B121201
|
2.9
|
47.5
|
1.0
|
C16
|
C:B121201
|
2.9
|
46.0
|
1.0
|
C6
|
C:B121201
|
3.0
|
44.8
|
1.0
|
C10
|
C:B121201
|
3.2
|
49.6
|
1.0
|
C5
|
C:B121201
|
3.3
|
42.5
|
1.0
|
C15
|
C:B121201
|
3.3
|
43.2
|
1.0
|
C20
|
C:B121201
|
3.6
|
46.2
|
1.0
|
C18
|
C:B121201
|
4.1
|
50.5
|
1.0
|
C8
|
C:B121201
|
4.1
|
50.6
|
1.0
|
C13
|
C:B121201
|
4.1
|
53.0
|
1.0
|
C2
|
C:B121201
|
4.1
|
53.0
|
1.0
|
C3
|
C:B121201
|
4.1
|
52.7
|
1.0
|
C17
|
C:B121201
|
4.2
|
49.3
|
1.0
|
C12
|
C:B121201
|
4.2
|
48.1
|
1.0
|
C7
|
C:B121201
|
4.3
|
47.8
|
1.0
|
C48
|
C:B121201
|
4.4
|
63.8
|
1.0
|
O
|
C:HOH1326
|
4.4
|
27.1
|
1.0
|
C41
|
C:B121201
|
4.4
|
51.6
|
1.0
|
OH
|
C:TYR1132
|
4.5
|
53.4
|
1.0
|
C26
|
C:B121201
|
4.5
|
57.2
|
1.0
|
C35
|
C:B121201
|
4.7
|
42.1
|
1.0
|
C54
|
C:B121201
|
4.7
|
51.4
|
1.0
|
C53
|
C:B121201
|
4.7
|
41.5
|
1.0
|
C46
|
C:B121201
|
4.8
|
47.6
|
1.0
|
CE1
|
C:TYR1132
|
4.9
|
54.0
|
1.0
|
C42
|
C:B121201
|
4.9
|
51.9
|
1.0
|
C37
|
C:B121201
|
5.0
|
51.7
|
1.0
|
|
Cobalt binding site 4 out
of 6 in 8sse
Go back to
Cobalt Binding Sites List in 8sse
Cobalt binding site 4 out
of 6 in the Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 4 of Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Co1201
b:69.1
occ:1.00
|
CO
|
D:B121201
|
0.0
|
69.1
|
1.0
|
N23
|
D:B121201
|
1.9
|
75.7
|
1.0
|
N21
|
D:B121201
|
1.9
|
67.5
|
1.0
|
N24
|
D:B121201
|
1.9
|
82.7
|
1.0
|
N22
|
D:B121201
|
1.9
|
70.8
|
1.0
|
C9
|
D:B121201
|
2.8
|
68.1
|
1.0
|
C14
|
D:B121201
|
2.8
|
87.2
|
1.0
|
C19
|
D:B121201
|
2.8
|
79.8
|
1.0
|
C11
|
D:B121201
|
2.8
|
79.9
|
1.0
|
C1
|
D:B121201
|
2.8
|
72.3
|
1.0
|
C16
|
D:B121201
|
2.9
|
84.9
|
1.0
|
C4
|
D:B121201
|
2.9
|
64.1
|
1.0
|
C6
|
D:B121201
|
3.0
|
61.0
|
1.0
|
C10
|
D:B121201
|
3.1
|
70.7
|
1.0
|
C15
|
D:B121201
|
3.3
|
83.2
|
1.0
|
C20
|
D:B121201
|
3.3
|
66.5
|
1.0
|
C5
|
D:B121201
|
3.4
|
56.7
|
1.0
|
C48
|
D:B121201
|
3.6
|
112.0
|
1.0
|
C13
|
D:B121201
|
3.8
|
103.7
|
1.0
|
C12
|
D:B121201
|
4.0
|
103.0
|
1.0
|
C18
|
D:B121201
|
4.1
|
87.3
|
1.0
|
C8
|
D:B121201
|
4.1
|
65.5
|
1.0
|
C2
|
D:B121201
|
4.1
|
74.6
|
1.0
|
OH
|
D:TYR1132
|
4.1
|
81.3
|
1.0
|
C17
|
D:B121201
|
4.2
|
81.7
|
1.0
|
C3
|
D:B121201
|
4.2
|
71.0
|
1.0
|
C7
|
D:B121201
|
4.2
|
62.0
|
1.0
|
C26
|
D:B121201
|
4.6
|
76.9
|
1.0
|
C54
|
D:B121201
|
4.6
|
77.5
|
1.0
|
C35
|
D:B121201
|
4.7
|
53.7
|
1.0
|
C53
|
D:B121201
|
4.7
|
84.8
|
1.0
|
C37
|
D:B121201
|
4.8
|
60.2
|
1.0
|
C46
|
D:B121201
|
4.9
|
108.1
|
1.0
|
C41
|
D:B121201
|
4.9
|
66.8
|
1.0
|
|
Cobalt binding site 5 out
of 6 in 8sse
Go back to
Cobalt Binding Sites List in 8sse
Cobalt binding site 5 out
of 6 in the Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 5 of Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Co1201
b:40.1
occ:1.00
|
CO
|
E:B121201
|
0.0
|
40.1
|
1.0
|
N23
|
E:B121201
|
1.8
|
45.9
|
1.0
|
N24
|
E:B121201
|
1.9
|
45.7
|
1.0
|
N22
|
E:B121201
|
1.9
|
41.9
|
1.0
|
N21
|
E:B121201
|
1.9
|
42.7
|
1.0
|
C9
|
E:B121201
|
2.8
|
41.8
|
1.0
|
C19
|
E:B121201
|
2.8
|
45.9
|
1.0
|
C11
|
E:B121201
|
2.8
|
49.2
|
1.0
|
C14
|
E:B121201
|
2.9
|
47.0
|
1.0
|
C16
|
E:B121201
|
2.9
|
46.6
|
1.0
|
C1
|
E:B121201
|
2.9
|
44.1
|
1.0
|
C4
|
E:B121201
|
3.0
|
41.2
|
1.0
|
C6
|
E:B121201
|
3.0
|
39.6
|
1.0
|
C10
|
E:B121201
|
3.1
|
45.3
|
1.0
|
C15
|
E:B121201
|
3.3
|
43.2
|
1.0
|
C5
|
E:B121201
|
3.4
|
37.3
|
1.0
|
C20
|
E:B121201
|
3.5
|
42.2
|
1.0
|
C8
|
E:B121201
|
4.0
|
40.3
|
1.0
|
C18
|
E:B121201
|
4.1
|
49.2
|
1.0
|
C13
|
E:B121201
|
4.1
|
55.5
|
1.0
|
C12
|
E:B121201
|
4.1
|
55.2
|
1.0
|
C17
|
E:B121201
|
4.2
|
48.2
|
1.0
|
C2
|
E:B121201
|
4.2
|
51.6
|
1.0
|
C7
|
E:B121201
|
4.2
|
40.3
|
1.0
|
C3
|
E:B121201
|
4.3
|
46.1
|
1.0
|
C41
|
E:B121201
|
4.3
|
41.6
|
1.0
|
OH
|
E:TYR1132
|
4.3
|
63.7
|
1.0
|
O
|
E:HOH1302
|
4.4
|
23.0
|
1.0
|
C48
|
E:B121201
|
4.5
|
58.9
|
1.0
|
C26
|
E:B121201
|
4.6
|
60.6
|
1.0
|
C53
|
E:B121201
|
4.7
|
42.3
|
1.0
|
C35
|
E:B121201
|
4.7
|
36.8
|
1.0
|
C54
|
E:B121201
|
4.8
|
45.9
|
1.0
|
C46
|
E:B121201
|
4.9
|
52.5
|
1.0
|
C37
|
E:B121201
|
4.9
|
42.7
|
1.0
|
CE1
|
E:TYR1132
|
4.9
|
58.5
|
1.0
|
CZ
|
E:TYR1132
|
5.0
|
54.0
|
1.0
|
|
Cobalt binding site 6 out
of 6 in 8sse
Go back to
Cobalt Binding Sites List in 8sse
Cobalt binding site 6 out
of 6 in the Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 6 of Methionine Synthase, C-Terminal Fragment, Cobalamin and Reactivation Domains From Thermus Thermophilus HB8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Co1201
b:69.0
occ:1.00
|
CO
|
F:B121201
|
0.0
|
69.0
|
1.0
|
N23
|
F:B121201
|
1.9
|
86.8
|
1.0
|
N21
|
F:B121201
|
1.9
|
79.7
|
1.0
|
N22
|
F:B121201
|
1.9
|
71.3
|
1.0
|
N24
|
F:B121201
|
1.9
|
75.7
|
1.0
|
C9
|
F:B121201
|
2.8
|
76.5
|
1.0
|
C19
|
F:B121201
|
2.8
|
80.9
|
1.0
|
C11
|
F:B121201
|
2.9
|
88.8
|
1.0
|
C4
|
F:B121201
|
2.9
|
70.6
|
1.0
|
C1
|
F:B121201
|
2.9
|
73.4
|
1.0
|
C14
|
F:B121201
|
2.9
|
81.3
|
1.0
|
C6
|
F:B121201
|
2.9
|
71.5
|
1.0
|
C16
|
F:B121201
|
2.9
|
75.4
|
1.0
|
C10
|
F:B121201
|
3.2
|
89.4
|
1.0
|
C5
|
F:B121201
|
3.3
|
59.6
|
1.0
|
C15
|
F:B121201
|
3.4
|
78.5
|
1.0
|
C20
|
F:B121201
|
3.5
|
65.3
|
1.0
|
OH
|
F:TYR1132
|
3.9
|
90.9
|
1.0
|
C8
|
F:B121201
|
4.1
|
69.8
|
1.0
|
C13
|
F:B121201
|
4.1
|
88.7
|
1.0
|
C18
|
F:B121201
|
4.1
|
83.7
|
1.0
|
C2
|
F:B121201
|
4.1
|
76.8
|
1.0
|
C3
|
F:B121201
|
4.2
|
74.7
|
1.0
|
C12
|
F:B121201
|
4.2
|
92.0
|
1.0
|
O
|
F:HOH1330
|
4.2
|
34.4
|
1.0
|
C7
|
F:B121201
|
4.2
|
78.9
|
1.0
|
C17
|
F:B121201
|
4.2
|
77.1
|
1.0
|
C48
|
F:B121201
|
4.4
|
92.2
|
1.0
|
C26
|
F:B121201
|
4.4
|
78.9
|
1.0
|
C35
|
F:B121201
|
4.6
|
56.1
|
1.0
|
CZ
|
F:TYR1132
|
4.8
|
82.6
|
1.0
|
C41
|
F:B121201
|
4.8
|
64.8
|
1.0
|
C53
|
F:B121201
|
4.8
|
80.4
|
1.0
|
C46
|
F:B121201
|
4.8
|
92.2
|
1.0
|
C37
|
F:B121201
|
4.9
|
80.0
|
1.0
|
CE2
|
F:TYR1132
|
4.9
|
84.9
|
1.0
|
C54
|
F:B121201
|
4.9
|
69.2
|
1.0
|
|
Reference:
J.Mendoza,
M.Purchal,
K.Yamada,
M.Koutmos.
Structure of Full-Length Cobalamin-Dependent Methionine Synthase and Cofactor Loading Captured in Crystallo Biorxiv 2023.
ISSN: ISSN 2692-8205
DOI: 10.1101/2023.06.15.544998
Page generated: Tue Jul 30 20:03:36 2024
|