Cobalt in PDB 6auh: Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112Y- A

The structure of Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112Y- A, PDB code: 6auh 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)	37.29 / 1.60
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.701, 57.701, 183.768, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 21.9

The binding sites of Cobalt atom in the Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112Y- A (pdb code 6auh). 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-S112Y- A, PDB code: 6auh:
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-S112Y- A


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-S112Y- A within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:43.0 occ:0.80 CO4 A:OL5201 0.0 43.0 0.8 O05 A:OL5201 1.8 41.1 0.8 O15 A:OL5201 1.9 38.4 0.8 O07 A:OL5201 1.9 42.3 0.8 O12 A:OL5201 2.0 32.4 0.8 O03 A:OL5201 2.0 39.7 0.8 N07 A:OL5201 2.3 43.4 0.8 CO2 A:OL5201 2.6 43.8 0.8 CO3 A:OL5201 2.6 50.9 0.8 CO1 A:OL5201 2.7 47.7 0.8 C04 A:OL5201 3.0 39.7 0.8 C40 A:OL5201 3.1 50.0 0.8 C44 A:OL5201 3.1 44.8 0.8 O06 A:OL5201 3.2 40.8 0.8 O14 A:OL5201 3.3 41.8 0.8 N05 A:OL5201 4.3 46.1 0.8 O09 A:OL5201 4.3 43.2 0.8 O11 A:OL5201 4.3 47.1 0.8 C37 A:OL5201 4.3 25.9 0.8 O08 A:OL5201 4.3 42.0 0.8 N06 A:OL5201 4.3 49.2 0.8 C41 A:OL5201 4.4 50.9 0.8 O10 A:OL5201 4.4 47.5 0.8 C43 A:OL5201 4.5 48.3 0.8 C02 A:OL5201 4.6 19.8 0.8 C32 A:OL5201 4.6 44.5 0.8 C28 A:OL5201 4.7 50.8 0.8 C16 A:OL5201 4.9 50.8 0.8 C42 A:OL5201 5.0 43.3 0.8

Cobalt binding site 2 out of 4 in the Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112Y- A


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-S112Y- A within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:47.7 occ:0.80 CO1 A:OL5201 0.0 47.7 0.8 O05 A:OL5201 1.8 41.1 0.8 O10 A:OL5201 2.0 47.5 0.8 O06 A:OL5201 2.0 40.8 0.8 O07 A:OL5201 2.0 42.3 0.8 O08 A:OL5201 2.0 42.0 0.8 CO2 A:OL5201 2.7 43.8 0.8 CO4 A:OL5201 2.7 43.0 0.8 CO3 A:OL5201 2.7 50.9 0.8 C16 A:OL5201 2.9 50.8 0.8 O11 A:OL5201 3.1 47.1 0.8 O09 A:OL5201 3.3 43.2 0.8 O12 A:OL5201 3.5 32.4 0.8 N07 A:OL5201 3.5 43.4 0.8 C40 A:OL5201 4.0 50.0 0.8 O03 A:OL5201 4.2 39.7 0.8 C17 A:OL5201 4.3 48.0 0.8 O14 A:OL5201 4.3 41.8 0.8 C44 A:OL5201 4.3 44.8 0.8 O15 A:OL5201 4.3 38.4 0.8 N05 A:OL5201 4.4 46.1 0.8 N06 A:OL5201 4.6 49.2 0.8 C04 A:OL5201 4.7 39.7 0.8 C24 A:OL5201 4.8 53.0 0.8

Cobalt binding site 3 out of 4 in the Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112Y- A


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-S112Y- A within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:50.9 occ:0.80 CO3 A:OL5201 0.0 50.9 0.8 O06 A:OL5201 1.8 40.8 0.8 O12 A:OL5201 1.8 32.4 0.8 O07 A:OL5201 1.9 42.3 0.8 O11 A:OL5201 2.1 47.1 0.8 N06 A:OL5201 2.1 49.2 0.8 CO4 A:OL5201 2.6 43.0 0.8 CO2 A:OL5201 2.7 43.8 0.8 CO1 A:OL5201 2.7 47.7 0.8 C28 A:OL5201 3.0 50.8 0.8 C34 A:OL5201 3.1 53.4 0.8 O15 A:OL5201 3.1 38.4 0.8 C16 A:OL5201 3.2 50.8 0.8 O05 A:OL5201 3.3 41.1 0.8 O10 A:OL5201 3.5 47.5 0.8 N05 A:OL5201 3.5 46.1 0.8 C32 A:OL5201 4.1 44.5 0.8 C24 A:OL5201 4.2 53.0 0.8 O03 A:OL5201 4.2 39.7 0.8 C29 A:OL5201 4.3 52.8 0.8 C35 A:OL5201 4.3 50.2 0.8 O08 A:OL5201 4.4 42.0 0.8 O14 A:OL5201 4.4 41.8 0.8 O09 A:OL5201 4.4 43.2 0.8 N07 A:OL5201 4.5 43.4 0.8 C17 A:OL5201 4.7 48.0 0.8 C04 A:OL5201 4.7 39.7 0.8 C30 A:OL5201 4.8 50.2 0.8 C40 A:OL5201 5.0 50.0 0.8

Cobalt binding site 4 out of 4 in the Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112Y- A


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-S112Y- A within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:43.8 occ:0.80 CO2 A:OL5201 0.0 43.8 0.8 N05 A:OL5201 2.0 46.1 0.8 O14 A:OL5201 2.0 41.8 0.8 O05 A:OL5201 2.0 41.1 0.8 O06 A:OL5201 2.0 40.8 0.8 O09 A:OL5201 2.0 43.2 0.8 O12 A:OL5201 2.1 32.4 0.8 CO4 A:OL5201 2.6 43.0 0.8 CO1 A:OL5201 2.7 47.7 0.8 CO3 A:OL5201 2.7 50.9 0.8 C04 A:OL5201 2.8 39.7 0.8 C32 A:OL5201 2.8 44.5 0.8 C24 A:OL5201 2.9 53.0 0.8 O03 A:OL5201 3.0 39.7 0.8 O08 A:OL5201 3.3 42.0 0.8 O07 A:OL5201 3.3 42.3 0.8 N06 A:OL5201 3.5 49.2 0.8 O15 A:OL5201 4.1 38.4 0.8 C28 A:OL5201 4.1 50.8 0.8 O11 A:OL5201 4.2 47.1 0.8 C33 A:OL5201 4.2 45.7 0.8 C37 A:OL5201 4.2 25.9 0.8 C25 A:OL5201 4.2 52.6 0.8 O10 A:OL5201 4.2 47.5 0.8 C34 A:OL5201 4.2 53.4 0.8 N07 A:OL5201 4.4 43.4 0.8 C16 A:OL5201 4.7 50.8 0.8 C26 A:OL5201 4.7 53.2 0.8 CE1 A:TYR112 4.8 35.2 1.0 CZ A:TYR112 4.9 39.2 1.0 C44 A:OL5201 4.9 44.8 0.8 OH A:TYR112 5.0 46.0 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