Cobalt in PDB 5u97: Crystal Structure of Co-CAO1 in Complex with Piceatannol

The structure of Crystal Structure of Co-CAO1 in Complex with Piceatannol, PDB code: 5u97 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)	47.86 / 1.85
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.050, 101.050, 448.184, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 20.6

The binding sites of Cobalt atom in the Crystal Structure of Co-CAO1 in Complex with Piceatannol (pdb code 5u97). 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 in Complex with Piceatannol, PDB code: 5u97:
Jump to Cobalt binding site number: 1; 2; 3; 4;

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


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 in Complex with Piceatannol within 5.0Å range: probe atom residue distance (Å) B Occ A:Co601 b:22.4 occ:1.00 NE2 A:HIS248 2.1 22.0 1.0 NE2 A:HIS313 2.1 22.7 1.0 NE2 A:HIS510 2.1 19.8 1.0 NE2 A:HIS197 2.1 24.2 1.0 O A:HOH978 2.5 31.8 1.0 CD2 A:HIS313 3.0 23.1 1.0 CD2 A:HIS248 3.0 20.8 1.0 CE1 A:HIS510 3.0 22.7 1.0 CE1 A:HIS197 3.0 24.6 1.0 CE1 A:HIS313 3.1 24.3 1.0 CD2 A:HIS510 3.1 20.1 1.0 CE1 A:HIS248 3.1 23.1 1.0 CD2 A:HIS197 3.2 23.7 1.0 ND1 A:HIS510 4.1 21.5 1.0 CG A:HIS313 4.1 24.1 1.0 CG A:HIS248 4.2 22.9 1.0 ND1 A:HIS313 4.2 26.5 1.0 ND1 A:HIS197 4.2 25.8 1.0 ND1 A:HIS248 4.2 23.1 1.0 CG A:HIS510 4.2 19.8 1.0 CG A:HIS197 4.3 24.6 1.0 CG2 A:THR151 4.6 17.0 1.0 C6 A:PIT602 4.6 19.8 1.0 C8 A:PIT602 4.7 22.4 1.0 C7 A:PIT602 4.7 22.2 1.0 C5 A:PIT602 4.8 21.5 1.0

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


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 in Complex with Piceatannol within 5.0Å range: probe atom residue distance (Å) B Occ B:Co601 b:22.1 occ:1.00 NE2 B:HIS510 2.0 24.0 1.0 NE2 B:HIS197 2.1 22.7 1.0 NE2 B:HIS313 2.1 19.6 1.0 NE2 B:HIS248 2.1 16.7 1.0 O B:HOH853 2.5 34.2 1.0 CE1 B:HIS510 2.9 23.6 1.0 CE1 B:HIS197 2.9 21.4 1.0 CD2 B:HIS313 3.0 20.4 1.0 CD2 B:HIS248 3.0 16.4 1.0 CD2 B:HIS510 3.0 22.9 1.0 CE1 B:HIS313 3.1 20.9 1.0 CE1 B:HIS248 3.2 17.6 1.0 CD2 B:HIS197 3.2 22.0 1.0 ND1 B:HIS510 4.0 21.8 1.0 CG B:HIS510 4.1 23.5 1.0 ND1 B:HIS197 4.1 23.7 1.0 CG B:HIS313 4.2 20.9 1.0 ND1 B:HIS313 4.2 20.3 1.0 CG B:HIS248 4.2 18.7 1.0 ND1 B:HIS248 4.2 17.8 1.0 CG B:HIS197 4.2 22.6 1.0 C6 B:PIT602 4.6 20.9 1.0 CG2 B:THR151 4.6 18.9 1.0 C8 B:PIT602 4.7 21.4 1.0 C7 B:PIT602 4.8 21.9 1.0 C5 B:PIT602 4.8 21.3 1.0

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


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 in Complex with Piceatannol within 5.0Å range: probe atom residue distance (Å) B Occ C:Co601 b:24.2 occ:1.00 NE2 C:HIS197 2.1 22.1 1.0 NE2 C:HIS510 2.1 25.0 1.0 NE2 C:HIS313 2.1 20.3 1.0 NE2 C:HIS248 2.1 23.6 1.0 O C:HOH952 2.5 40.7 1.0 CE1 C:HIS197 2.9 23.9 1.0 CE1 C:HIS510 3.0 25.9 1.0 CD2 C:HIS313 3.0 19.1 1.0 CD2 C:HIS248 3.0 25.4 1.0 CD2 C:HIS510 3.1 22.6 1.0 CE1 C:HIS313 3.2 18.9 1.0 CD2 C:HIS197 3.2 23.1 1.0 CE1 C:HIS248 3.2 24.8 1.0 ND1 C:HIS510 4.1 21.9 1.0 ND1 C:HIS197 4.1 21.4 1.0 CG C:HIS510 4.1 23.8 1.0 CG C:HIS313 4.2 20.4 1.0 ND1 C:HIS313 4.2 20.3 1.0 CG C:HIS248 4.2 25.3 1.0 CG C:HIS197 4.2 22.7 1.0 ND1 C:HIS248 4.2 23.5 1.0 C6 C:PIT602 4.6 22.9 1.0 CG2 C:THR151 4.6 19.1 1.0 C8 C:PIT602 4.7 20.8 1.0 C7 C:PIT602 4.8 21.5 1.0 C5 C:PIT602 4.8 21.0 1.0

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


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 in Complex with Piceatannol within 5.0Å range: probe atom residue distance (Å) B Occ D:Co601 b:21.4 occ:1.00 NE2 D:HIS197 2.1 23.6 1.0 NE2 D:HIS510 2.1 20.9 1.0 NE2 D:HIS313 2.1 19.1 1.0 NE2 D:HIS248 2.1 22.9 1.0 O D:HOH917 2.4 32.9 1.0 CE1 D:HIS197 2.9 21.4 1.0 CE1 D:HIS510 3.0 20.9 1.0 CD2 D:HIS313 3.0 18.8 1.0 CD2 D:HIS248 3.1 20.8 1.0 CD2 D:HIS510 3.1 22.8 1.0 CE1 D:HIS313 3.2 20.9 1.0 CD2 D:HIS197 3.2 20.8 1.0 CE1 D:HIS248 3.2 21.4 1.0 ND1 D:HIS510 4.1 23.1 1.0 ND1 D:HIS197 4.1 22.0 1.0 CG D:HIS510 4.1 22.9 1.0 CG D:HIS313 4.2 20.8 1.0 ND1 D:HIS313 4.2 21.3 1.0 CG D:HIS248 4.2 20.7 1.0 CG D:HIS197 4.2 19.0 1.0 ND1 D:HIS248 4.2 19.2 1.0 CG2 D:THR151 4.6 21.5 1.0 C6 D:PIT602 4.6 17.6 1.0 C8 D:PIT602 4.7 20.7 1.0 C7 D:PIT602 4.8 21.7 1.0 C5 D:PIT602 4.8 19.4 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