Cobalt in PDB 5yrt: Diol Dehydratase, Adocbl/Substrate-Free, Anaerobically-Prepared Crystal
Enzymatic activity of Diol Dehydratase, Adocbl/Substrate-Free, Anaerobically-Prepared Crystal
All present enzymatic activity of Diol Dehydratase, Adocbl/Substrate-Free, Anaerobically-Prepared Crystal:
4.2.1.28;
Protein crystallography data
The structure of Diol Dehydratase, Adocbl/Substrate-Free, Anaerobically-Prepared Crystal, PDB code: 5yrt
was solved by
N.Shibata,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.00 /
1.70
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
72.687,
95.459,
114.567,
80.78,
87.58,
81.10
|
R / Rfree (%)
|
15 /
18.7
|
Other elements in 5yrt:
The structure of Diol Dehydratase, Adocbl/Substrate-Free, Anaerobically-Prepared Crystal also contains other interesting chemical elements:
Cobalt Binding Sites:
The binding sites of Cobalt atom in the Diol Dehydratase, Adocbl/Substrate-Free, Anaerobically-Prepared Crystal
(pdb code 5yrt). 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, Adocbl/Substrate-Free, Anaerobically-Prepared Crystal, PDB code: 5yrt:
Jump to Cobalt binding site number:
1;
2;
3;
4;
Cobalt binding site 1 out
of 4 in 5yrt
Go back to
Cobalt Binding Sites List in 5yrt
Cobalt binding site 1 out
of 4 in the Diol Dehydratase, Adocbl/Substrate-Free, Anaerobically-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, Adocbl/Substrate-Free, Anaerobically-Prepared Crystal within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co1601
b:12.6
occ:1.00
|
CO
|
B:B121601
|
0.0
|
12.6
|
1.0
|
N21
|
B:B121601
|
1.8
|
13.4
|
1.0
|
N23
|
B:B121601
|
1.8
|
12.5
|
1.0
|
N24
|
B:B121601
|
1.9
|
11.4
|
1.0
|
N22
|
B:B121601
|
1.9
|
11.4
|
1.0
|
N3B
|
B:B121601
|
2.3
|
14.1
|
1.0
|
C19
|
B:B121601
|
2.7
|
13.3
|
1.0
|
C1
|
B:B121601
|
2.8
|
13.9
|
1.0
|
C9
|
B:B121601
|
2.8
|
11.4
|
1.0
|
C4
|
B:B121601
|
2.8
|
10.1
|
1.0
|
C14
|
B:B121601
|
2.8
|
12.5
|
1.0
|
C11
|
B:B121601
|
2.9
|
10.2
|
1.0
|
C6
|
B:B121601
|
3.0
|
9.9
|
1.0
|
C16
|
B:B121601
|
3.0
|
12.0
|
1.0
|
C2B
|
B:B121601
|
3.2
|
10.4
|
1.0
|
C9B
|
B:B121601
|
3.3
|
11.2
|
1.0
|
C10
|
B:B121601
|
3.3
|
9.0
|
1.0
|
C5
|
B:B121601
|
3.3
|
10.2
|
1.0
|
C15
|
B:B121601
|
3.3
|
10.6
|
1.0
|
C20
|
B:B121601
|
3.5
|
9.8
|
1.0
|
O28
|
B:B121601
|
3.6
|
14.1
|
1.0
|
O3'
|
A:5AD604
|
3.6
|
14.4
|
1.0
|
C4B
|
B:B121601
|
3.9
|
16.8
|
1.0
|
C2
|
B:B121601
|
4.0
|
12.6
|
1.0
|
C18
|
B:B121601
|
4.1
|
10.8
|
1.0
|
C8
|
B:B121601
|
4.1
|
13.3
|
1.0
|
C3
|
B:B121601
|
4.1
|
13.0
|
1.0
|
C13
|
B:B121601
|
4.2
|
14.5
|
1.0
|
C12
|
B:B121601
|
4.2
|
13.1
|
1.0
|
C17
|
B:B121601
|
4.2
|
9.8
|
1.0
|
C27
|
B:B121601
|
4.2
|
13.2
|
1.0
|
C7
|
B:B121601
|
4.3
|
13.9
|
1.0
|
C3'
|
A:5AD604
|
4.3
|
15.3
|
1.0
|
N1B
|
B:B121601
|
4.4
|
12.3
|
1.0
|
C8B
|
B:B121601
|
4.5
|
13.0
|
1.0
|
C26
|
B:B121601
|
4.5
|
12.1
|
1.0
|
C46
|
B:B121601
|
4.7
|
12.8
|
1.0
|
C41
|
B:B121601
|
4.7
|
13.6
|
1.0
|
C49
|
B:B121601
|
4.7
|
8.5
|
1.0
|
C54
|
B:B121601
|
4.7
|
13.6
|
1.0
|
C35
|
B:B121601
|
4.8
|
13.4
|
1.0
|
C53
|
B:B121601
|
4.8
|
11.4
|
1.0
|
C48
|
B:B121601
|
5.0
|
8.4
|
1.0
|
|
Cobalt binding site 2 out
of 4 in 5yrt
Go back to
Cobalt Binding Sites List in 5yrt
Cobalt binding site 2 out
of 4 in the Diol Dehydratase, Adocbl/Substrate-Free, Anaerobically-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, Adocbl/Substrate-Free, Anaerobically-Prepared Crystal within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Co1601
b:13.2
occ:1.00
|
CO
|
E:B121601
|
0.0
|
13.2
|
1.0
|
N21
|
E:B121601
|
1.8
|
11.6
|
1.0
|
N23
|
E:B121601
|
1.8
|
17.2
|
1.0
|
N24
|
E:B121601
|
1.8
|
11.3
|
1.0
|
N22
|
E:B121601
|
1.9
|
13.2
|
1.0
|
N3B
|
E:B121601
|
2.3
|
14.6
|
1.0
|
C19
|
E:B121601
|
2.7
|
11.3
|
1.0
|
C14
|
E:B121601
|
2.8
|
15.2
|
1.0
|
C9
|
E:B121601
|
2.8
|
12.1
|
1.0
|
C1
|
E:B121601
|
2.8
|
8.7
|
1.0
|
C4
|
E:B121601
|
2.8
|
14.9
|
1.0
|
C11
|
E:B121601
|
2.9
|
18.6
|
1.0
|
C16
|
E:B121601
|
3.0
|
9.7
|
1.0
|
C6
|
E:B121601
|
3.0
|
13.6
|
1.0
|
C2B
|
E:B121601
|
3.2
|
14.1
|
1.0
|
C9B
|
E:B121601
|
3.3
|
15.8
|
1.0
|
C10
|
E:B121601
|
3.3
|
10.2
|
1.0
|
C15
|
E:B121601
|
3.3
|
11.7
|
1.0
|
C5
|
E:B121601
|
3.4
|
12.7
|
1.0
|
O28
|
E:B121601
|
3.5
|
12.4
|
1.0
|
C20
|
E:B121601
|
3.5
|
9.5
|
1.0
|
O3'
|
D:5AD604
|
3.7
|
15.6
|
1.0
|
C4B
|
E:B121601
|
3.9
|
14.8
|
1.0
|
C18
|
E:B121601
|
4.0
|
13.9
|
1.0
|
C2
|
E:B121601
|
4.1
|
10.6
|
1.0
|
C8
|
E:B121601
|
4.1
|
14.0
|
1.0
|
C3
|
E:B121601
|
4.1
|
14.2
|
1.0
|
C13
|
E:B121601
|
4.1
|
10.0
|
1.0
|
C17
|
E:B121601
|
4.2
|
12.4
|
1.0
|
C12
|
E:B121601
|
4.2
|
10.3
|
1.0
|
C27
|
E:B121601
|
4.2
|
9.2
|
1.0
|
C7
|
E:B121601
|
4.3
|
12.6
|
1.0
|
C3'
|
D:5AD604
|
4.3
|
18.6
|
1.0
|
N1B
|
E:B121601
|
4.4
|
13.6
|
1.0
|
C8B
|
E:B121601
|
4.5
|
15.3
|
1.0
|
C26
|
E:B121601
|
4.6
|
9.4
|
1.0
|
C49
|
E:B121601
|
4.6
|
12.7
|
1.0
|
C41
|
E:B121601
|
4.7
|
12.6
|
1.0
|
C46
|
E:B121601
|
4.7
|
12.1
|
1.0
|
C54
|
E:B121601
|
4.8
|
13.5
|
1.0
|
C53
|
E:B121601
|
4.8
|
13.8
|
1.0
|
C35
|
E:B121601
|
4.8
|
13.3
|
1.0
|
C48
|
E:B121601
|
5.0
|
15.1
|
1.0
|
|
Cobalt binding site 3 out
of 4 in 5yrt
Go back to
Cobalt Binding Sites List in 5yrt
Cobalt binding site 3 out
of 4 in the Diol Dehydratase, Adocbl/Substrate-Free, Anaerobically-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, Adocbl/Substrate-Free, Anaerobically-Prepared Crystal within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Co1601
b:11.9
occ:1.00
|
CO
|
H:B121601
|
0.0
|
11.9
|
1.0
|
N21
|
H:B121601
|
1.8
|
10.1
|
1.0
|
N23
|
H:B121601
|
1.8
|
13.6
|
1.0
|
N24
|
H:B121601
|
1.9
|
11.3
|
1.0
|
N22
|
H:B121601
|
1.9
|
9.9
|
1.0
|
N3B
|
H:B121601
|
2.3
|
15.2
|
1.0
|
C19
|
H:B121601
|
2.8
|
8.7
|
1.0
|
C9
|
H:B121601
|
2.8
|
10.1
|
1.0
|
C1
|
H:B121601
|
2.8
|
8.5
|
1.0
|
C14
|
H:B121601
|
2.8
|
14.1
|
1.0
|
C4
|
H:B121601
|
2.8
|
12.2
|
1.0
|
C11
|
H:B121601
|
2.9
|
10.8
|
1.0
|
C6
|
H:B121601
|
3.0
|
10.6
|
1.0
|
C16
|
H:B121601
|
3.0
|
9.7
|
1.0
|
C2B
|
H:B121601
|
3.3
|
11.7
|
1.0
|
C9B
|
H:B121601
|
3.3
|
11.7
|
1.0
|
C10
|
H:B121601
|
3.3
|
10.2
|
1.0
|
C15
|
H:B121601
|
3.3
|
8.3
|
1.0
|
C5
|
H:B121601
|
3.4
|
13.0
|
1.0
|
C20
|
H:B121601
|
3.5
|
9.7
|
1.0
|
O3'
|
G:5AD604
|
3.6
|
14.3
|
1.0
|
O28
|
H:B121601
|
3.6
|
14.2
|
1.0
|
C4B
|
H:B121601
|
3.9
|
15.3
|
1.0
|
C18
|
H:B121601
|
4.1
|
11.1
|
1.0
|
C2
|
H:B121601
|
4.1
|
9.3
|
1.0
|
C8
|
H:B121601
|
4.1
|
13.4
|
1.0
|
C3
|
H:B121601
|
4.1
|
9.8
|
1.0
|
C13
|
H:B121601
|
4.2
|
13.8
|
1.0
|
C12
|
H:B121601
|
4.2
|
11.6
|
1.0
|
C17
|
H:B121601
|
4.2
|
11.4
|
1.0
|
C27
|
H:B121601
|
4.2
|
16.2
|
1.0
|
C7
|
H:B121601
|
4.3
|
10.5
|
1.0
|
C3'
|
G:5AD604
|
4.3
|
14.3
|
1.0
|
N1B
|
H:B121601
|
4.4
|
11.9
|
1.0
|
C8B
|
H:B121601
|
4.5
|
10.4
|
1.0
|
C26
|
H:B121601
|
4.6
|
8.8
|
1.0
|
C49
|
H:B121601
|
4.7
|
11.1
|
1.0
|
C41
|
H:B121601
|
4.7
|
13.6
|
1.0
|
C46
|
H:B121601
|
4.7
|
11.1
|
1.0
|
C54
|
H:B121601
|
4.8
|
13.1
|
1.0
|
C53
|
H:B121601
|
4.8
|
8.3
|
1.0
|
C35
|
H:B121601
|
4.8
|
14.1
|
1.0
|
C37
|
H:B121601
|
5.0
|
12.9
|
1.0
|
C48
|
H:B121601
|
5.0
|
11.8
|
1.0
|
|
Cobalt binding site 4 out
of 4 in 5yrt
Go back to
Cobalt Binding Sites List in 5yrt
Cobalt binding site 4 out
of 4 in the Diol Dehydratase, Adocbl/Substrate-Free, Anaerobically-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, Adocbl/Substrate-Free, Anaerobically-Prepared Crystal within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Co1601
b:11.8
occ:1.00
|
CO
|
K:B121601
|
0.0
|
11.8
|
1.0
|
N21
|
K:B121601
|
1.8
|
9.1
|
1.0
|
N24
|
K:B121601
|
1.9
|
11.8
|
1.0
|
N23
|
K:B121601
|
1.9
|
10.0
|
1.0
|
N22
|
K:B121601
|
1.9
|
9.7
|
1.0
|
N3B
|
K:B121601
|
2.3
|
14.7
|
1.0
|
C19
|
K:B121601
|
2.7
|
9.5
|
1.0
|
C1
|
K:B121601
|
2.8
|
9.2
|
1.0
|
C9
|
K:B121601
|
2.8
|
12.0
|
1.0
|
C14
|
K:B121601
|
2.8
|
8.8
|
1.0
|
C4
|
K:B121601
|
2.9
|
7.7
|
1.0
|
C11
|
K:B121601
|
2.9
|
12.1
|
1.0
|
C16
|
K:B121601
|
3.0
|
11.5
|
1.0
|
C6
|
K:B121601
|
3.0
|
9.2
|
1.0
|
C2B
|
K:B121601
|
3.2
|
8.6
|
1.0
|
C9B
|
K:B121601
|
3.3
|
13.0
|
1.0
|
C10
|
K:B121601
|
3.3
|
12.5
|
1.0
|
C5
|
K:B121601
|
3.4
|
7.4
|
1.0
|
C15
|
K:B121601
|
3.4
|
12.3
|
1.0
|
O28
|
K:B121601
|
3.5
|
11.4
|
1.0
|
C20
|
K:B121601
|
3.5
|
8.5
|
1.0
|
O3'
|
J:5AD604
|
3.7
|
15.2
|
1.0
|
C4B
|
K:B121601
|
3.8
|
10.8
|
1.0
|
C18
|
K:B121601
|
4.0
|
9.7
|
1.0
|
C2
|
K:B121601
|
4.0
|
7.4
|
1.0
|
C8
|
K:B121601
|
4.1
|
11.2
|
1.0
|
C3
|
K:B121601
|
4.1
|
9.0
|
1.0
|
C13
|
K:B121601
|
4.2
|
11.9
|
1.0
|
C27
|
K:B121601
|
4.2
|
12.1
|
1.0
|
C12
|
K:B121601
|
4.2
|
13.3
|
1.0
|
C17
|
K:B121601
|
4.2
|
9.2
|
1.0
|
C3'
|
J:5AD604
|
4.3
|
15.5
|
1.0
|
C7
|
K:B121601
|
4.3
|
11.1
|
1.0
|
N1B
|
K:B121601
|
4.4
|
9.1
|
1.0
|
C8B
|
K:B121601
|
4.5
|
12.8
|
1.0
|
C26
|
K:B121601
|
4.5
|
8.0
|
1.0
|
C41
|
K:B121601
|
4.7
|
8.2
|
1.0
|
C49
|
K:B121601
|
4.7
|
9.1
|
1.0
|
C46
|
K:B121601
|
4.7
|
9.9
|
1.0
|
C54
|
K:B121601
|
4.8
|
9.6
|
1.0
|
C35
|
K:B121601
|
4.9
|
8.1
|
1.0
|
C53
|
K:B121601
|
4.9
|
12.2
|
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 18:22:11 2024
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