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

The structure of Artificial Metalloproteins Containing A CO4O4 Active Site - 2XM-S112Y- B, PDB code: 6aue 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)	37.45 / 1.36
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.945, 57.945, 184.565, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 22.9

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


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- B within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:50.4 occ:1.00 CO4 A:OL3201 0.0 50.4 1.0 O07 A:OL3201 1.9 48.7 1.0 O05 A:OL3201 2.0 44.8 1.0 O12 A:OL3201 2.0 41.7 1.0 O03 A:OL3201 2.0 50.3 1.0 O15 A:OL3201 2.1 50.1 1.0 N07 A:OL3201 2.3 49.7 1.0 CO2 A:OL3201 2.7 50.1 1.0 CO1 A:OL3201 2.9 57.8 1.0 CO3 A:OL3201 2.9 61.4 1.0 C04 A:OL3201 3.0 44.0 1.0 C44 A:OL3201 3.1 45.9 1.0 O14 A:OL3201 3.4 45.0 1.0 C40 A:OL3201 3.4 59.3 1.0 O06 A:OL3201 3.4 48.5 1.0 N04 A:OL3201 4.1 59.4 1.0 C37 A:OL3201 4.3 34.2 1.0 N05 A:OL3201 4.4 58.1 1.0 C18 A:OL3201 4.4 71.4 1.0 C43 A:OL3201 4.5 51.0 1.0 O09 A:OL3201 4.5 44.5 1.0 O A:HOH354 4.5 45.2 1.0 C02 A:OL3201 4.6 21.9 1.0 C41 A:OL3201 4.6 43.7 1.0 O08 A:OL3201 4.6 44.7 1.0 O11 A:OL3201 4.7 53.7 1.0 O10 A:OL3201 4.7 57.1 1.0 C32 A:OL3201 4.7 64.0 1.0

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


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- B within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:57.8 occ:1.00 CO1 A:OL3201 0.0 57.8 1.0 O05 A:OL3201 1.9 44.8 1.0 O06 A:OL3201 2.0 48.5 1.0 O07 A:OL3201 2.1 48.7 1.0 O08 A:OL3201 2.1 44.7 1.0 O10 A:OL3201 2.1 57.1 1.0 N04 A:OL3201 2.6 59.4 1.0 CO3 A:OL3201 2.8 61.4 1.0 CO2 A:OL3201 2.8 50.1 1.0 CO4 A:OL3201 2.9 50.4 1.0 C16 A:OL3201 3.1 69.5 1.0 O11 A:OL3201 3.3 53.7 1.0 O12 A:OL3201 3.4 41.7 1.0 C18 A:OL3201 3.5 71.4 1.0 C22 A:OL3201 3.5 71.0 1.0 O09 A:OL3201 3.6 44.5 1.0 N07 A:OL3201 3.9 49.7 1.0 C40 A:OL3201 4.3 59.3 1.0 O03 A:OL3201 4.5 50.3 1.0 O14 A:OL3201 4.5 45.0 1.0 C17 A:OL3201 4.5 64.9 1.0 O15 A:OL3201 4.7 50.1 1.0 C19 A:OL3201 4.8 63.5 1.0 C21 A:OL3201 4.8 74.1 1.0 N05 A:OL3201 4.8 58.1 1.0 C44 A:OL3201 4.8 45.9 1.0 C04 A:OL3201 4.8 44.0 1.0

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


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- B within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:61.4 occ:1.00 CO3 A:OL3201 0.0 61.4 1.0 O06 A:OL3201 1.9 48.5 1.0 O12 A:OL3201 1.9 41.7 1.0 O07 A:OL3201 2.1 48.7 1.0 O11 A:OL3201 2.1 53.7 1.0 N06 A:OL3201 2.6 65.4 1.0 CO1 A:OL3201 2.8 57.8 1.0 CO2 A:OL3201 2.8 50.1 1.0 CO4 A:OL3201 2.9 50.4 1.0 C16 A:OL3201 3.1 69.5 1.0 C32 A:OL3201 3.3 64.0 1.0 O10 A:OL3201 3.4 57.1 1.0 C28 A:OL3201 3.4 84.8 1.0 O05 A:OL3201 3.5 44.8 1.0 N05 A:OL3201 3.6 58.1 1.0 C34 A:OL3201 3.6 81.2 1.0 O15 A:OL3201 3.7 50.1 1.0 O08 A:OL3201 4.4 44.7 1.0 C33 A:OL3201 4.5 72.0 1.0 O03 A:OL3201 4.5 50.3 1.0 C17 A:OL3201 4.6 64.9 1.0 O14 A:OL3201 4.6 45.0 1.0 O09 A:OL3201 4.7 44.5 1.0 C29 A:OL3201 4.8 94.3 1.0 C35 A:OL3201 4.8 88.0 1.0 N07 A:OL3201 4.9 49.7 1.0 C24 A:OL3201 4.9 63.9 1.0 C04 A:OL3201 5.0 44.0 1.0

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


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- B within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:50.1 occ:1.00 CO2 A:OL3201 0.0 50.1 1.0 O06 A:OL3201 2.0 48.5 1.0 O12 A:OL3201 2.1 41.7 1.0 O14 A:OL3201 2.1 45.0 1.0 O05 A:OL3201 2.1 44.8 1.0 O09 A:OL3201 2.2 44.5 1.0 N05 A:OL3201 2.3 58.1 1.0 CO4 A:OL3201 2.7 50.4 1.0 CO1 A:OL3201 2.8 57.8 1.0 CO3 A:OL3201 2.8 61.4 1.0 C04 A:OL3201 2.9 44.0 1.0 C32 A:OL3201 3.2 64.0 1.0 O03 A:OL3201 3.2 50.3 1.0 C24 A:OL3201 3.3 63.9 1.0 O07 A:OL3201 3.4 48.7 1.0 O08 A:OL3201 3.5 44.7 1.0 O A:HOH301 4.1 38.3 1.0 C37 A:OL3201 4.3 34.2 1.0 O10 A:OL3201 4.4 57.1 1.0 O11 A:OL3201 4.4 53.7 1.0 O15 A:OL3201 4.4 50.1 1.0 N06 A:OL3201 4.4 65.4 1.0 C33 A:OL3201 4.6 72.0 1.0 C25 A:OL3201 4.6 63.2 1.0 N07 A:OL3201 4.7 49.7 1.0 C34 A:OL3201 4.8 81.2 1.0 C16 A:OL3201 4.8 69.5 1.0 CE1 A:TYR112 4.9 30.5 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