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Cobalt in PDB 5yrv: Diol Dehydratase, Adocbl/1,2-Propanediol, Anaerobically-Prepared Crystal

Enzymatic activity of Diol Dehydratase, Adocbl/1,2-Propanediol, Anaerobically-Prepared Crystal

All present enzymatic activity of Diol Dehydratase, Adocbl/1,2-Propanediol, Anaerobically-Prepared Crystal:
4.2.1.28;

Protein crystallography data

The structure of Diol Dehydratase, Adocbl/1,2-Propanediol, Anaerobically-Prepared Crystal, PDB code: 5yrv was solved by N.Shibata, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.00 / 1.55
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 72.777, 95.666, 114.514, 80.61, 87.77, 81.25
R / Rfree (%) 15.5 / 18.1

Other elements in 5yrv:

The structure of Diol Dehydratase, Adocbl/1,2-Propanediol, 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/1,2-Propanediol, Anaerobically-Prepared Crystal (pdb code 5yrv). 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/1,2-Propanediol, Anaerobically-Prepared Crystal, PDB code: 5yrv:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in 5yrv

Go back to Cobalt Binding Sites List in 5yrv
Cobalt binding site 1 out of 4 in the Diol Dehydratase, Adocbl/1,2-Propanediol, 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/1,2-Propanediol, Anaerobically-Prepared Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co1601

b:16.3
occ:1.00
CO B:B121601 0.0 16.3 1.0
N21 B:B121601 1.8 15.1 1.0
N24 B:B121601 1.8 13.8 1.0
N22 B:B121601 1.9 16.9 1.0
N23 B:B121601 1.9 17.0 1.0
N3B B:B121601 2.3 15.1 1.0
C19 B:B121601 2.7 15.3 1.0
C1 B:B121601 2.8 14.6 1.0
C9 B:B121601 2.8 16.2 1.0
C4 B:B121601 2.8 14.7 1.0
C14 B:B121601 2.8 15.2 1.0
C11 B:B121601 3.0 14.2 1.0
C16 B:B121601 3.0 17.8 1.0
C6 B:B121601 3.0 15.7 1.0
C2B B:B121601 3.2 16.8 1.0
C9B B:B121601 3.3 14.5 1.0
C10 B:B121601 3.3 14.4 1.0
C5 B:B121601 3.3 17.2 1.0
C15 B:B121601 3.3 17.0 1.0
C20 B:B121601 3.5 15.2 1.0
O28 B:B121601 3.5 16.9 1.0
O3' A:5AD605 3.6 16.1 1.0
C4B B:B121601 3.9 20.8 1.0
C2 B:B121601 4.0 17.1 1.0
C18 B:B121601 4.0 14.6 1.0
C8 B:B121601 4.1 15.1 1.0
C3 B:B121601 4.1 15.7 1.0
C17 B:B121601 4.2 15.1 1.0
C13 B:B121601 4.2 15.4 1.0
C12 B:B121601 4.2 15.8 1.0
C27 B:B121601 4.2 16.8 1.0
C3' A:5AD605 4.2 17.1 1.0
C7 B:B121601 4.3 15.2 1.0
N1B B:B121601 4.4 16.7 1.0
C8B B:B121601 4.5 14.1 1.0
C26 B:B121601 4.6 15.5 1.0
C41 B:B121601 4.7 17.6 1.0
C49 B:B121601 4.7 13.0 1.0
C46 B:B121601 4.7 15.8 1.0
C54 B:B121601 4.8 17.9 1.0
C35 B:B121601 4.8 18.3 1.0
C53 B:B121601 4.8 15.2 1.0
C37 B:B121601 5.0 15.6 1.0

Cobalt binding site 2 out of 4 in 5yrv

Go back to Cobalt Binding Sites List in 5yrv
Cobalt binding site 2 out of 4 in the Diol Dehydratase, Adocbl/1,2-Propanediol, 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/1,2-Propanediol, Anaerobically-Prepared Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Co1601

b:18.2
occ:1.00
CO E:B121601 0.0 18.2 1.0
N21 E:B121601 1.8 18.6 1.0
N24 E:B121601 1.8 17.1 1.0
N23 E:B121601 1.8 18.6 1.0
N22 E:B121601 1.9 17.3 1.0
N3B E:B121601 2.3 19.2 1.0
C19 E:B121601 2.7 16.2 1.0
C1 E:B121601 2.8 18.2 1.0
C14 E:B121601 2.8 15.9 1.0
C9 E:B121601 2.8 18.4 1.0
C4 E:B121601 2.8 16.0 1.0
C11 E:B121601 2.9 18.3 1.0
C16 E:B121601 3.0 18.1 1.0
C6 E:B121601 3.0 18.0 1.0
C2B E:B121601 3.2 20.4 1.0
C9B E:B121601 3.3 21.4 1.0
C10 E:B121601 3.3 21.3 1.0
C5 E:B121601 3.3 16.8 1.0
C15 E:B121601 3.3 16.4 1.0
O28 E:B121601 3.5 18.8 1.0
C20 E:B121601 3.6 19.6 1.0
O3' D:5AD605 3.7 20.3 1.0
C4B E:B121601 3.9 19.0 1.0
C18 E:B121601 4.0 18.7 1.0
C2 E:B121601 4.0 17.3 1.0
C3 E:B121601 4.1 15.7 1.0
C8 E:B121601 4.1 19.3 1.0
C13 E:B121601 4.1 15.9 1.0
C17 E:B121601 4.2 18.7 1.0
C12 E:B121601 4.2 18.4 1.0
C27 E:B121601 4.2 19.1 1.0
C7 E:B121601 4.3 18.8 1.0
C3' D:5AD605 4.3 21.4 1.0
N1B E:B121601 4.4 19.1 1.0
C8B E:B121601 4.5 17.9 1.0
C26 E:B121601 4.6 16.2 1.0
C46 E:B121601 4.7 19.2 1.0
C49 E:B121601 4.7 17.3 1.0
C41 E:B121601 4.7 18.4 1.0
C54 E:B121601 4.8 17.9 1.0
C35 E:B121601 4.8 20.0 1.0
C53 E:B121601 4.8 20.1 1.0
C48 E:B121601 5.0 17.1 1.0

Cobalt binding site 3 out of 4 in 5yrv

Go back to Cobalt Binding Sites List in 5yrv
Cobalt binding site 3 out of 4 in the Diol Dehydratase, Adocbl/1,2-Propanediol, 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/1,2-Propanediol, Anaerobically-Prepared Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Co1601

b:19.1
occ:1.00
CO H:B121601 0.0 19.1 1.0
N21 H:B121601 1.8 20.3 1.0
N24 H:B121601 1.8 15.9 1.0
N23 H:B121601 1.9 21.9 1.0
N22 H:B121601 1.9 15.8 1.0
N3B H:B121601 2.3 19.7 1.0
C19 H:B121601 2.7 18.1 1.0
C9 H:B121601 2.8 17.5 1.0
C1 H:B121601 2.8 17.8 1.0
C4 H:B121601 2.8 15.6 1.0
C14 H:B121601 2.9 19.7 1.0
C11 H:B121601 2.9 16.9 1.0
C16 H:B121601 3.0 18.4 1.0
C6 H:B121601 3.0 18.0 1.0
C2B H:B121601 3.2 18.9 1.0
C9B H:B121601 3.3 20.6 1.0
C10 H:B121601 3.3 19.6 1.0
C5 H:B121601 3.4 20.3 1.0
C15 H:B121601 3.4 16.3 1.0
O28 H:B121601 3.5 19.9 1.0
C20 H:B121601 3.6 18.0 1.0
O3' G:5AD605 3.6 18.3 1.0
C4B H:B121601 3.8 21.9 1.0
C18 H:B121601 4.0 16.1 1.0
C2 H:B121601 4.1 17.7 1.0
C8 H:B121601 4.1 18.3 1.0
C3 H:B121601 4.1 17.8 1.0
C17 H:B121601 4.2 17.5 1.0
C13 H:B121601 4.2 20.5 1.0
C12 H:B121601 4.2 16.9 1.0
C27 H:B121601 4.2 21.1 1.0
C3' G:5AD605 4.2 17.4 1.0
C7 H:B121601 4.3 16.8 1.0
N1B H:B121601 4.4 18.4 1.0
C8B H:B121601 4.5 20.9 1.0
C26 H:B121601 4.6 16.9 1.0
C49 H:B121601 4.7 17.9 1.0
C41 H:B121601 4.7 21.1 1.0
C46 H:B121601 4.7 19.0 1.0
C54 H:B121601 4.8 21.4 1.0
C35 H:B121601 4.8 18.4 1.0
C53 H:B121601 4.9 18.5 1.0

Cobalt binding site 4 out of 4 in 5yrv

Go back to Cobalt Binding Sites List in 5yrv
Cobalt binding site 4 out of 4 in the Diol Dehydratase, Adocbl/1,2-Propanediol, 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/1,2-Propanediol, Anaerobically-Prepared Crystal within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Co1601

b:17.6
occ:1.00
CO K:B121601 0.0 17.6 1.0
N21 K:B121601 1.8 16.4 1.0
N24 K:B121601 1.8 13.6 1.0
N23 K:B121601 1.9 16.3 1.0
N22 K:B121601 1.9 15.4 1.0
N3B K:B121601 2.3 18.3 1.0
C19 K:B121601 2.7 14.0 1.0
C1 K:B121601 2.8 15.9 1.0
C9 K:B121601 2.8 16.1 1.0
C14 K:B121601 2.8 16.0 1.0
C4 K:B121601 2.8 13.6 1.0
C11 K:B121601 2.9 15.4 1.0
C16 K:B121601 3.0 15.1 1.0
C6 K:B121601 3.0 18.1 1.0
C2B K:B121601 3.2 19.2 1.0
C9B K:B121601 3.3 19.0 1.0
C10 K:B121601 3.3 15.0 1.0
C15 K:B121601 3.4 14.8 1.0
C5 K:B121601 3.4 14.0 1.0
O28 K:B121601 3.5 18.0 1.0
C20 K:B121601 3.6 15.3 1.0
O3' J:5AD604 3.7 22.0 1.0
C4B K:B121601 3.8 17.3 1.0
C2 K:B121601 4.0 14.1 1.0
C18 K:B121601 4.0 17.9 1.0
C3 K:B121601 4.1 15.2 1.0
C8 K:B121601 4.1 14.8 1.0
C13 K:B121601 4.2 14.2 1.0
C12 K:B121601 4.2 17.9 1.0
C17 K:B121601 4.2 14.5 1.0
C27 K:B121601 4.2 17.8 1.0
C3' J:5AD604 4.3 18.8 1.0
C7 K:B121601 4.3 16.9 1.0
N1B K:B121601 4.4 18.1 1.0
C8B K:B121601 4.5 18.1 1.0
C26 K:B121601 4.6 14.9 1.0
C46 K:B121601 4.7 16.4 1.0
C49 K:B121601 4.7 17.5 1.0
C41 K:B121601 4.7 16.8 1.0
C54 K:B121601 4.8 16.2 1.0
C35 K:B121601 4.9 15.5 1.0
C53 K:B121601 4.9 15.6 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 18:22:08 2024

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