Cobalt in PDB 8uan: The Crystal Structure of Cobalt-Bound Human Ado C18S C239S Variant at 1.99 Angstrom

The structure of The Crystal Structure of Cobalt-Bound Human Ado C18S C239S Variant at 1.99 Angstrom, PDB code: 8uan was solved by A.Liu, J.Li, R.Duan, I.Shin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.62 / 1.99
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	54.863, 95.92, 118.162, 90, 90, 90
R / Rfree (%)	19.8 / 23.5

The binding sites of Cobalt atom in the The Crystal Structure of Cobalt-Bound Human Ado C18S C239S Variant at 1.99 Angstrom (pdb code 8uan). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total only one binding site of Cobalt was determined in the The Crystal Structure of Cobalt-Bound Human Ado C18S C239S Variant at 1.99 Angstrom, PDB code: 8uan:

Cobalt binding site 1 out of 1 in the The Crystal Structure of Cobalt-Bound Human Ado C18S C239S Variant at 1.99 Angstrom


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of The Crystal Structure of Cobalt-Bound Human Ado C18S C239S Variant at 1.99 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Co301 b:34.8 occ:1.00 NE2 A:HIS193 2.1 35.2 1.0 O A:HOH461 2.1 40.3 1.0 NE2 A:HIS114 2.1 32.4 1.0 NE2 A:HIS112 2.1 35.6 1.0 O A:HOH401 2.2 34.8 1.0 O A:HOH455 2.2 38.2 1.0 CE1 A:HIS193 3.0 36.4 1.0 CE1 A:HIS112 3.0 34.5 1.0 CE1 A:HIS114 3.0 35.9 1.0 CD2 A:HIS193 3.1 36.6 1.0 CD2 A:HIS112 3.2 35.1 1.0 CD2 A:HIS114 3.2 36.0 1.0 O1 A:GOL302 3.8 51.1 1.0 ND1 A:HIS193 4.1 39.5 1.0 ND1 A:HIS112 4.2 33.9 1.0 ND1 A:HIS114 4.2 33.8 1.0 CG A:HIS193 4.2 38.0 1.0 OH A:TYR212 4.2 35.2 1.0 CG A:HIS112 4.3 36.7 1.0 CG A:HIS114 4.3 35.1 1.0 C2 A:GOL302 4.4 49.0 1.0 C1 A:GOL302 4.5 46.9 1.0 OD1 A:ASP206 4.5 50.5 1.0 O A:HOH412 4.7 44.9 1.0 C3 A:GOL302 4.8 46.5 1.0

J.Li, R.Duan, A.Liu. Cobalt(II)-Substituted Cysteamine Dioxygenase Oxygenation Proceeds Through A Cobalt(III)-Superoxo Complex. J.Am.Chem.Soc. 2024.
ISSN: ESSN 1520-5126
PubMed: 38941563
DOI: 10.1021/JACS.4C01871