Cobalt in PDB 5u8y: Crystal Structure of Co-CAO1

The structure of Crystal Structure of Co-CAO1, PDB code: 5u8y was solved by X.Sui, K.Palczewski, S.Banerjee, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.00 / 2.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.440, 100.440, 447.977, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 22.3

The binding sites of Cobalt atom in the Crystal Structure of Co-CAO1 (pdb code 5u8y). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Crystal Structure of Co-CAO1, PDB code: 5u8y:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Crystal Structure of Co-CAO1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Co-CAO1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co601 b:33.3 occ:1.00 NE2 A:HIS313 2.1 36.8 1.0 NE2 A:HIS510 2.1 33.2 1.0 NE2 A:HIS248 2.2 31.1 1.0 NE2 A:HIS197 2.2 32.3 1.0 CE1 A:HIS197 3.0 33.3 1.0 CE1 A:HIS510 3.1 32.5 1.0 CD2 A:HIS248 3.1 32.2 1.0 CD2 A:HIS510 3.1 32.6 1.0 CE1 A:HIS313 3.1 34.9 1.0 CD2 A:HIS313 3.1 35.1 1.0 CE1 A:HIS248 3.2 33.9 1.0 CD2 A:HIS197 3.3 32.6 1.0 ND1 A:HIS510 4.1 32.8 1.0 CG A:HIS510 4.2 32.0 1.0 ND1 A:HIS313 4.2 36.1 1.0 CG A:HIS248 4.2 36.2 1.0 ND1 A:HIS197 4.2 34.3 1.0 CG A:HIS313 4.2 34.0 1.0 ND1 A:HIS248 4.2 37.0 1.0 CG2 A:THR151 4.4 30.6 1.0 CG A:HIS197 4.4 31.3 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of Co-CAO1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Co-CAO1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co601 b:28.6 occ:1.00 NE2 B:HIS313 2.1 28.0 1.0 NE2 B:HIS248 2.1 32.8 1.0 NE2 B:HIS197 2.1 27.6 1.0 NE2 B:HIS510 2.2 31.6 1.0 O B:HOH832 2.4 49.2 1.0 CD2 B:HIS248 3.0 32.6 1.0 CE1 B:HIS197 3.0 27.4 1.0 CD2 B:HIS313 3.1 29.2 1.0 CE1 B:HIS510 3.1 29.8 1.0 CE1 B:HIS313 3.1 28.7 1.0 CD2 B:HIS510 3.1 30.8 1.0 CE1 B:HIS248 3.1 34.6 1.0 CD2 B:HIS197 3.2 26.1 1.0 ND1 B:HIS510 4.1 30.9 1.0 CG B:HIS248 4.1 31.9 1.0 ND1 B:HIS313 4.2 30.5 1.0 ND1 B:HIS197 4.2 27.0 1.0 ND1 B:HIS248 4.2 34.5 1.0 CG B:HIS313 4.2 30.3 1.0 CG B:HIS510 4.2 32.0 1.0 CG B:HIS197 4.3 24.9 1.0 CG2 B:THR151 4.5 23.7 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of Co-CAO1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Co-CAO1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Co601 b:30.1 occ:1.00 O C:HOH716 2.0 30.0 1.0 NE2 C:HIS197 2.0 35.7 1.0 NE2 C:HIS313 2.1 31.4 1.0 NE2 C:HIS248 2.1 28.2 1.0 NE2 C:HIS510 2.2 28.8 1.0 CE1 C:HIS197 2.9 35.9 1.0 CD2 C:HIS248 3.0 27.6 1.0 CD2 C:HIS313 3.0 30.5 1.0 CE1 C:HIS510 3.1 29.1 1.0 CD2 C:HIS197 3.1 35.0 1.0 CD2 C:HIS510 3.1 30.1 1.0 CE1 C:HIS313 3.1 32.3 1.0 CE1 C:HIS248 3.2 29.5 1.0 ND1 C:HIS197 4.0 35.7 1.0 CG C:HIS248 4.1 29.8 1.0 ND1 C:HIS510 4.1 29.5 1.0 CG C:HIS197 4.1 35.1 1.0 ND1 C:HIS248 4.2 31.2 1.0 CG C:HIS313 4.2 30.9 1.0 CG C:HIS510 4.2 30.9 1.0 ND1 C:HIS313 4.2 30.9 1.0 CG2 C:THR151 4.5 20.4 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of Co-CAO1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of Co-CAO1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Co601 b:31.3 occ:1.00 NE2 D:HIS248 2.1 30.2 1.0 NE2 D:HIS510 2.2 29.2 1.0 NE2 D:HIS313 2.2 27.6 1.0 NE2 D:HIS197 2.4 33.7 1.0 CD2 D:HIS248 3.0 31.3 1.0 CE1 D:HIS248 3.1 33.9 1.0 CD2 D:HIS510 3.1 31.7 1.0 CE1 D:HIS313 3.1 28.9 1.0 CE1 D:HIS510 3.1 29.6 1.0 CE1 D:HIS197 3.2 33.7 1.0 CD2 D:HIS313 3.2 28.0 1.0 CD2 D:HIS197 3.4 33.9 1.0 ND1 D:HIS248 4.1 34.6 1.0 CG D:HIS248 4.2 33.4 1.0 ND1 D:HIS510 4.2 29.7 1.0 CG D:HIS510 4.2 31.0 1.0 ND1 D:HIS313 4.2 29.2 1.0 CG2 D:THR151 4.3 24.3 1.0 CG D:HIS313 4.3 28.9 1.0 ND1 D:HIS197 4.4 32.6 1.0 CG D:HIS197 4.5 32.0 1.0

X.Sui, A.C.Weitz, E.R.Farquhar, M.Badiee, S.Banerjee, J.Von Lintig, G.P.Tochtrop, K.Palczewski, M.P.Hendrich, P.D.Kiser. Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing An Atypically Coordinated Non-Heme Iron Center. Biochemistry V. 56 2836 2017.
ISSN: ISSN 1520-4995
PubMed: 28493664
DOI: 10.1021/ACS.BIOCHEM.7B00251