Cobalt in PDB 5ysh: Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal
Enzymatic activity of Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal
All present enzymatic activity of Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal:
4.2.1.28;
Protein crystallography data
The structure of Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal, PDB code: 5ysh
was solved by
N.Shibata,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.00 /
1.90
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
70.330,
110.490,
115.480,
92.69,
95.97,
105.44
|
R / Rfree (%)
|
16.4 /
19.1
|
Other elements in 5ysh:
The structure of Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal also contains other interesting chemical elements:
Cobalt Binding Sites:
The binding sites of Cobalt atom in the Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal
(pdb code 5ysh). This binding sites where shown within
5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the
Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal, PDB code: 5ysh:
Jump to Cobalt binding site number:
1;
2;
3;
4;
Cobalt binding site 1 out
of 4 in 5ysh
Go back to
Cobalt Binding Sites List in 5ysh
Cobalt binding site 1 out
of 4 in the Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co1601
b:39.3
occ:1.00
|
CO
|
B:B121601
|
0.0
|
39.3
|
1.0
|
N21
|
B:B121601
|
1.8
|
40.5
|
1.0
|
N23
|
B:B121601
|
1.9
|
38.2
|
1.0
|
N22
|
B:B121601
|
1.9
|
40.0
|
1.0
|
N24
|
B:B121601
|
1.9
|
38.8
|
1.0
|
N3B
|
B:B121601
|
2.3
|
42.7
|
1.0
|
C19
|
B:B121601
|
2.7
|
39.1
|
1.0
|
C1
|
B:B121601
|
2.8
|
40.8
|
1.0
|
C9
|
B:B121601
|
2.8
|
39.4
|
1.0
|
C4
|
B:B121601
|
2.8
|
41.0
|
1.0
|
C14
|
B:B121601
|
2.8
|
37.9
|
1.0
|
C11
|
B:B121601
|
2.9
|
37.6
|
1.0
|
C6
|
B:B121601
|
3.0
|
40.3
|
1.0
|
C16
|
B:B121601
|
3.0
|
38.1
|
1.0
|
C2B
|
B:B121601
|
3.2
|
45.6
|
1.0
|
C9B
|
B:B121601
|
3.3
|
44.6
|
1.0
|
C10
|
B:B121601
|
3.3
|
38.1
|
1.0
|
C5
|
B:B121601
|
3.3
|
40.8
|
1.0
|
C15
|
B:B121601
|
3.4
|
37.8
|
1.0
|
C20
|
B:B121601
|
3.6
|
43.0
|
1.0
|
C4B
|
B:B121601
|
3.8
|
45.2
|
1.0
|
C2
|
B:B121601
|
4.0
|
40.7
|
1.0
|
C18
|
B:B121601
|
4.0
|
39.4
|
1.0
|
C3
|
B:B121601
|
4.1
|
41.6
|
1.0
|
C8
|
B:B121601
|
4.1
|
40.3
|
1.0
|
C13
|
B:B121601
|
4.2
|
37.2
|
1.0
|
C12
|
B:B121601
|
4.2
|
36.4
|
1.0
|
C17
|
B:B121601
|
4.2
|
39.3
|
1.0
|
C7
|
B:B121601
|
4.2
|
40.2
|
1.0
|
C26
|
B:B121601
|
4.4
|
38.3
|
1.0
|
N1B
|
B:B121601
|
4.4
|
45.4
|
1.0
|
C8B
|
B:B121601
|
4.5
|
46.4
|
1.0
|
C46
|
B:B121601
|
4.7
|
34.0
|
1.0
|
C41
|
B:B121601
|
4.7
|
42.6
|
1.0
|
C49
|
B:B121601
|
4.7
|
45.3
|
1.0
|
C35
|
B:B121601
|
4.8
|
41.1
|
1.0
|
C54
|
B:B121601
|
4.8
|
35.5
|
1.0
|
C53
|
B:B121601
|
4.9
|
37.2
|
1.0
|
C37
|
B:B121601
|
4.9
|
38.0
|
1.0
|
|
Cobalt binding site 2 out
of 4 in 5ysh
Go back to
Cobalt Binding Sites List in 5ysh
Cobalt binding site 2 out
of 4 in the Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Co1601
b:31.1
occ:1.00
|
CO
|
E:B121601
|
0.0
|
31.1
|
1.0
|
N21
|
E:B121601
|
1.9
|
25.9
|
1.0
|
N23
|
E:B121601
|
1.9
|
26.4
|
1.0
|
N22
|
E:B121601
|
1.9
|
30.0
|
1.0
|
N24
|
E:B121601
|
1.9
|
21.5
|
1.0
|
N3B
|
E:B121601
|
2.3
|
23.6
|
1.0
|
C19
|
E:B121601
|
2.8
|
21.6
|
1.0
|
C1
|
E:B121601
|
2.8
|
24.6
|
1.0
|
C9
|
E:B121601
|
2.8
|
22.9
|
1.0
|
C14
|
E:B121601
|
2.8
|
21.4
|
1.0
|
C4
|
E:B121601
|
2.8
|
27.6
|
1.0
|
C11
|
E:B121601
|
2.9
|
21.2
|
1.0
|
C6
|
E:B121601
|
3.0
|
23.7
|
1.0
|
C16
|
E:B121601
|
3.0
|
19.5
|
1.0
|
C9B
|
E:B121601
|
3.3
|
30.8
|
1.0
|
C2B
|
E:B121601
|
3.3
|
29.2
|
1.0
|
C10
|
E:B121601
|
3.3
|
24.0
|
1.0
|
C5
|
E:B121601
|
3.3
|
29.6
|
1.0
|
C15
|
E:B121601
|
3.3
|
24.0
|
1.0
|
C20
|
E:B121601
|
3.5
|
23.4
|
1.0
|
C4B
|
E:B121601
|
3.8
|
29.9
|
1.0
|
C2
|
E:B121601
|
4.1
|
26.4
|
1.0
|
C18
|
E:B121601
|
4.1
|
21.7
|
1.0
|
C3
|
E:B121601
|
4.1
|
24.0
|
1.0
|
C8
|
E:B121601
|
4.2
|
22.8
|
1.0
|
C13
|
E:B121601
|
4.2
|
20.1
|
1.0
|
C12
|
E:B121601
|
4.2
|
22.3
|
1.0
|
C17
|
E:B121601
|
4.2
|
20.3
|
1.0
|
C7
|
E:B121601
|
4.3
|
22.9
|
1.0
|
N1B
|
E:B121601
|
4.4
|
30.9
|
1.0
|
C8B
|
E:B121601
|
4.5
|
30.6
|
1.0
|
C26
|
E:B121601
|
4.6
|
20.9
|
1.0
|
C49
|
E:B121601
|
4.7
|
23.3
|
1.0
|
C46
|
E:B121601
|
4.7
|
21.1
|
1.0
|
C41
|
E:B121601
|
4.8
|
25.8
|
1.0
|
C35
|
E:B121601
|
4.8
|
23.1
|
1.0
|
C53
|
E:B121601
|
4.8
|
18.7
|
1.0
|
C54
|
E:B121601
|
4.9
|
19.2
|
1.0
|
C37
|
E:B121601
|
4.9
|
21.4
|
1.0
|
C48
|
E:B121601
|
5.0
|
20.9
|
1.0
|
|
Cobalt binding site 3 out
of 4 in 5ysh
Go back to
Cobalt Binding Sites List in 5ysh
Cobalt binding site 3 out
of 4 in the Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Co1601
b:35.0
occ:1.00
|
CO
|
H:B121601
|
0.0
|
35.0
|
1.0
|
N21
|
H:B121601
|
1.8
|
35.1
|
1.0
|
N22
|
H:B121601
|
1.8
|
37.0
|
1.0
|
N24
|
H:B121601
|
1.8
|
32.7
|
1.0
|
N23
|
H:B121601
|
1.9
|
35.7
|
1.0
|
N3B
|
H:B121601
|
2.3
|
35.1
|
1.0
|
C19
|
H:B121601
|
2.7
|
36.2
|
1.0
|
C9
|
H:B121601
|
2.8
|
38.9
|
1.0
|
C1
|
H:B121601
|
2.8
|
37.0
|
1.0
|
C4
|
H:B121601
|
2.8
|
36.3
|
1.0
|
C14
|
H:B121601
|
2.8
|
32.2
|
1.0
|
C11
|
H:B121601
|
2.9
|
35.3
|
1.0
|
C6
|
H:B121601
|
2.9
|
36.5
|
1.0
|
C16
|
H:B121601
|
3.0
|
31.4
|
1.0
|
C9B
|
H:B121601
|
3.2
|
37.8
|
1.0
|
C2B
|
H:B121601
|
3.2
|
37.2
|
1.0
|
C5
|
H:B121601
|
3.3
|
40.8
|
1.0
|
C10
|
H:B121601
|
3.3
|
36.2
|
1.0
|
C15
|
H:B121601
|
3.3
|
31.9
|
1.0
|
C20
|
H:B121601
|
3.6
|
35.6
|
1.0
|
C4B
|
H:B121601
|
3.7
|
38.1
|
1.0
|
C2
|
H:B121601
|
4.0
|
37.0
|
1.0
|
C18
|
H:B121601
|
4.1
|
36.3
|
1.0
|
C8
|
H:B121601
|
4.1
|
38.0
|
1.0
|
C3
|
H:B121601
|
4.1
|
37.0
|
1.0
|
C13
|
H:B121601
|
4.2
|
33.5
|
1.0
|
C12
|
H:B121601
|
4.2
|
31.2
|
1.0
|
C17
|
H:B121601
|
4.2
|
32.6
|
1.0
|
C7
|
H:B121601
|
4.2
|
39.1
|
1.0
|
N1B
|
H:B121601
|
4.4
|
35.8
|
1.0
|
C8B
|
H:B121601
|
4.5
|
37.1
|
1.0
|
C26
|
H:B121601
|
4.5
|
38.2
|
1.0
|
C46
|
H:B121601
|
4.7
|
33.8
|
1.0
|
C49
|
H:B121601
|
4.7
|
37.0
|
1.0
|
C41
|
H:B121601
|
4.7
|
41.3
|
1.0
|
C54
|
H:B121601
|
4.8
|
29.7
|
1.0
|
C35
|
H:B121601
|
4.8
|
38.3
|
1.0
|
C53
|
H:B121601
|
4.8
|
30.6
|
1.0
|
C37
|
H:B121601
|
4.9
|
36.7
|
1.0
|
|
Cobalt binding site 4 out
of 4 in 5ysh
Go back to
Cobalt Binding Sites List in 5ysh
Cobalt binding site 4 out
of 4 in the Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 4 of Diol Dehydratase - Alpha/T172A Mutant Complexed with Adocbl, Aerobically-Prepared Crystal within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Co1601
b:68.1
occ:1.00
|
CO
|
K:B121601
|
0.0
|
68.1
|
1.0
|
N21
|
K:B121601
|
1.8
|
68.8
|
1.0
|
N24
|
K:B121601
|
1.8
|
66.3
|
1.0
|
N23
|
K:B121601
|
1.9
|
67.3
|
1.0
|
N22
|
K:B121601
|
1.9
|
69.8
|
1.0
|
N3B
|
K:B121601
|
2.3
|
70.7
|
1.0
|
C19
|
K:B121601
|
2.7
|
66.2
|
1.0
|
C1
|
K:B121601
|
2.8
|
68.1
|
1.0
|
C4
|
K:B121601
|
2.8
|
69.7
|
1.0
|
C9
|
K:B121601
|
2.8
|
70.2
|
1.0
|
C14
|
K:B121601
|
2.8
|
66.3
|
1.0
|
C11
|
K:B121601
|
2.9
|
67.8
|
1.0
|
C6
|
K:B121601
|
3.0
|
70.7
|
1.0
|
C16
|
K:B121601
|
3.0
|
65.1
|
1.0
|
C9B
|
K:B121601
|
3.2
|
72.6
|
1.0
|
C2B
|
K:B121601
|
3.3
|
70.5
|
1.0
|
C10
|
K:B121601
|
3.3
|
69.2
|
1.0
|
C5
|
K:B121601
|
3.3
|
70.5
|
1.0
|
C15
|
K:B121601
|
3.3
|
65.1
|
1.0
|
C20
|
K:B121601
|
3.5
|
69.6
|
1.0
|
C4B
|
K:B121601
|
3.7
|
73.8
|
1.0
|
C2
|
K:B121601
|
4.0
|
68.1
|
1.0
|
C18
|
K:B121601
|
4.0
|
65.2
|
1.0
|
C3
|
K:B121601
|
4.1
|
69.7
|
1.0
|
C8
|
K:B121601
|
4.1
|
72.0
|
1.0
|
C13
|
K:B121601
|
4.2
|
66.3
|
1.0
|
C12
|
K:B121601
|
4.2
|
66.6
|
1.0
|
C17
|
K:B121601
|
4.2
|
64.0
|
1.0
|
C7
|
K:B121601
|
4.2
|
71.9
|
1.0
|
C26
|
K:B121601
|
4.4
|
66.0
|
1.0
|
N1B
|
K:B121601
|
4.4
|
72.3
|
1.0
|
C8B
|
K:B121601
|
4.5
|
73.8
|
1.0
|
C46
|
K:B121601
|
4.7
|
64.5
|
1.0
|
C49
|
K:B121601
|
4.8
|
70.1
|
1.0
|
C41
|
K:B121601
|
4.8
|
74.1
|
1.0
|
C35
|
K:B121601
|
4.8
|
71.1
|
1.0
|
C53
|
K:B121601
|
4.8
|
64.0
|
1.0
|
C54
|
K:B121601
|
4.9
|
61.9
|
1.0
|
C37
|
K:B121601
|
4.9
|
70.5
|
1.0
|
C30
|
K:B121601
|
5.0
|
71.9
|
1.0
|
|
Reference:
N.Shibata,
Y.Sueyoshi,
Y.Higuchi,
T.Toraya.
Direct Participation of A Peripheral Side Chain of A Corrin Ring in Coenzyme B12CATALYSIS. Angew. Chem. Int. Ed. Engl. V. 57 7830 2018.
ISSN: ESSN 1521-3773
PubMed: 29797764
DOI: 10.1002/ANIE.201803591
Page generated: Tue Jul 30 18:22:15 2024
|