Cobalt in PDB 6auo: Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112F

The structure of Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112F, PDB code: 6auo was solved by L.Olshansky, J.Vallapurakal, R.Huerta-Lavorie, A.I.Nguyen, T.D.Tilley, A.S.Borovik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.92 / 1.70
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.555, 57.555, 183.719, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.2

The binding sites of Cobalt atom in the Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112F (pdb code 6auo). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112F, PDB code: 6auo:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112F


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112F within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:55.7 occ:1.00 CO4 A:OL4201 0.0 55.7 1.0 O12 A:OL4201 1.9 33.7 1.0 O05 A:OL4201 2.0 53.3 1.0 O07 A:OL4201 2.0 50.8 1.0 O03 A:OL4201 2.1 48.5 1.0 O15 A:OL4201 2.1 47.1 1.0 CO2 A:OL4201 2.6 51.6 1.0 CO1 A:OL4201 2.9 63.0 1.0 CO3 A:OL4201 2.9 67.7 1.0 C04 A:OL4201 3.0 43.4 1.0 O06 A:OL4201 3.3 55.9 1.0 O14 A:OL4201 3.3 46.2 1.0 CE1 A:PHE112 3.6 42.2 1.0 CZ A:PHE112 4.1 44.8 1.0 N06 A:OL4201 4.2 68.4 1.0 CD1 A:PHE112 4.3 41.9 1.0 N05 A:OL4201 4.3 52.7 1.0 O09 A:OL4201 4.3 51.7 1.0 C37 A:OL4201 4.4 29.0 1.0 C32 A:OL4201 4.5 43.0 1.0 C28 A:OL4201 4.6 60.3 1.0 O10 A:OL4201 4.7 53.4 1.0 C02 A:OL4201 4.8 21.8 1.0

Cobalt binding site 2 out of 4 in the Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112F


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112F within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:63.0 occ:1.00 CO1 A:OL4201 0.0 63.0 1.0 O07 A:OL4201 1.9 50.8 1.0 O05 A:OL4201 1.9 53.3 1.0 O06 A:OL4201 1.9 55.9 1.0 O10 A:OL4201 2.2 53.4 1.0 CO4 A:OL4201 2.9 55.7 1.0 CO3 A:OL4201 2.9 67.7 1.0 CO2 A:OL4201 2.9 51.6 1.0 O12 A:OL4201 3.5 33.7 1.0 O09 A:OL4201 3.6 51.7 1.0 N06 A:OL4201 4.3 68.4 1.0 O03 A:OL4201 4.6 48.5 1.0 C34 A:OL4201 4.6 69.1 1.0 O15 A:OL4201 4.7 47.1 1.0 O14 A:OL4201 4.7 46.2 1.0 N05 A:OL4201 4.8 52.7 1.0

Cobalt binding site 3 out of 4 in the Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112F


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112F within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:67.7 occ:1.00 CO3 A:OL4201 0.0 67.7 1.0 N06 A:OL4201 1.7 68.4 1.0 O06 A:OL4201 1.9 55.9 1.0 O07 A:OL4201 2.0 50.8 1.0 O12 A:OL4201 2.0 33.7 1.0 C28 A:OL4201 2.6 60.3 1.0 C34 A:OL4201 2.6 69.1 1.0 CO4 A:OL4201 2.9 55.7 1.0 CO1 A:OL4201 2.9 63.0 1.0 CO2 A:OL4201 2.9 51.6 1.0 O10 A:OL4201 3.2 53.4 1.0 O15 A:OL4201 3.5 47.1 1.0 O05 A:OL4201 3.5 53.3 1.0 N05 A:OL4201 3.8 52.7 1.0 C35 A:OL4201 3.8 79.7 1.0 C29 A:OL4201 3.9 81.4 1.0 C32 A:OL4201 4.1 43.0 1.0 C30 A:OL4201 4.3 81.7 1.0 O03 A:OL4201 4.6 48.5 1.0 O14 A:OL4201 4.7 46.2 1.0 C24 A:OL4201 4.7 59.5 1.0 O09 A:OL4201 4.7 51.7 1.0

Cobalt binding site 4 out of 4 in the Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112F


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112F within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:51.6 occ:1.00 CO2 A:OL4201 0.0 51.6 1.0 O12 A:OL4201 1.9 33.7 1.0 O05 A:OL4201 2.0 53.3 1.0 O06 A:OL4201 2.1 55.9 1.0 N05 A:OL4201 2.1 52.7 1.0 O09 A:OL4201 2.1 51.7 1.0 O14 A:OL4201 2.1 46.2 1.0 CO4 A:OL4201 2.6 55.7 1.0 CO1 A:OL4201 2.9 63.0 1.0 CO3 A:OL4201 2.9 67.7 1.0 C04 A:OL4201 3.0 43.4 1.0 C32 A:OL4201 3.0 43.0 1.0 C24 A:OL4201 3.0 59.5 1.0 O03 A:OL4201 3.2 48.5 1.0 O07 A:OL4201 3.3 50.8 1.0 N06 A:OL4201 3.5 68.4 1.0 C34 A:OL4201 3.8 69.1 1.0 O15 A:OL4201 4.2 47.1 1.0 C28 A:OL4201 4.3 60.3 1.0 C33 A:OL4201 4.3 56.5 1.0 C25 A:OL4201 4.3 65.0 1.0 C37 A:OL4201 4.4 29.0 1.0 O10 A:OL4201 4.5 53.4 1.0 C35 A:OL4201 4.7 79.7 1.0 C26 A:OL4201 4.9 59.2 1.0

L.Olshansky, R.Huerta-Lavorie, A.I.Nguyen, J.Vallapurackal, A.Furst, T.D.Tilley, A.S.Borovik. Artificial Metalloproteins Containing Co J. Am. Chem. Soc. V. 140 2739 2018.
ISSN: ESSN 1520-5126
PubMed: 29401385
DOI: 10.1021/JACS.7B13052