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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:

Potassium (K) 8 atoms
Calcium (Ca) 4 atoms
Chlorine (Cl) 12 atoms

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: Sun Jul 13 20:45:35 2025

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