Cobalt in PDB 9mdg: Co-Mahf-9 A8L Metal Alpha-Helix Framework

The structure of Co-Mahf-9 A8L Metal Alpha-Helix Framework, PDB code: 9mdg was solved by R.M.Richardson-Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.26 / 1.41
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	48.315, 16.45, 17.586, 90, 101.08, 90
R / Rfree (%)	14.5 / 19.7

The binding sites of Cobalt atom in the Co-Mahf-9 A8L Metal Alpha-Helix Framework (pdb code 9mdg). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Co-Mahf-9 A8L Metal Alpha-Helix Framework, PDB code: 9mdg:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Co-Mahf-9 A8L Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Co-Mahf-9 A8L Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ A:Co101 b:20.8 occ:0.50 OE2 B:GLU4 1.9 21.6 1.0 NE2 A:HIS7 2.0 17.0 1.0 CD B:GLU4 2.5 20.9 1.0 OE1 B:GLU4 2.6 19.6 1.0 CE1 A:HIS7 2.9 17.4 1.0 CD2 A:HIS7 3.1 14.4 1.0 HE1 A:HIS7 3.1 21.0 1.0 HD2 A:HIS7 3.3 17.4 1.0 CG B:GLU4 3.9 23.9 1.0 ND1 A:HIS7 4.1 16.7 1.0 HE1 B:HIS7 4.1 18.9 1.0 HG2 B:GLU4 4.1 28.8 1.0 CG A:HIS7 4.2 15.4 1.0 HD23 A:LEU8 4.2 28.9 1.0 HG3 B:GLU4 4.3 28.8 1.0 CE1 B:HIS7 4.4 15.7 1.0 HA B:GLU4 4.5 22.3 1.0 HD21 A:LEU8 4.5 28.9 1.0 CD2 A:LEU8 4.8 24.0 1.0 HD1 A:HIS7 4.9 20.1 1.0 HB3 B:GLU4 4.9 22.8 1.0 ND1 B:HIS7 4.9 16.2 1.0 CB B:GLU4 4.9 18.9 1.0 NE2 B:HIS7 4.9 14.3 1.0 HD1 B:HIS7 5.0 19.5 1.0

Cobalt binding site 2 out of 2 in the Co-Mahf-9 A8L Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Co-Mahf-9 A8L Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ A:Co102 b:17.4 occ:0.50 OE2 A:GLU4 1.9 22.5 1.0 NE2 B:HIS7 2.0 14.3 1.0 CD A:GLU4 2.5 22.8 1.0 OE1 A:GLU4 2.6 19.6 1.0 CE1 B:HIS7 2.9 15.7 1.0 CD2 B:HIS7 3.1 11.5 1.0 HE1 B:HIS7 3.1 18.9 1.0 HD2 B:HIS7 3.3 13.8 1.0 CG A:GLU4 4.0 23.8 1.0 ND1 B:HIS7 4.1 16.2 1.0 HE1 A:HIS7 4.2 21.0 1.0 CG B:HIS7 4.2 10.9 1.0 HD23 B:LEU8 4.2 35.2 1.0 HG2 A:GLU4 4.2 28.6 1.0 HG3 A:GLU4 4.4 28.6 1.0 CE1 A:HIS7 4.5 17.4 1.0 HA A:GLU4 4.5 15.9 1.0 HD21 B:LEU8 4.6 35.2 1.0 O B:HOH201 4.8 52.3 1.0 HD1 B:HIS7 4.9 19.5 1.0 CD2 B:LEU8 4.9 29.3 1.0 ND1 A:HIS7 4.9 16.7 1.0 HB3 A:GLU4 4.9 21.9 1.0 CB A:GLU4 5.0 18.2 1.0 HD1 A:HIS7 5.0 20.1 1.0

R.Richardson-Matthews, K.Velko, B.Bhunia, S.Ghosh, J.Oktawiec, J.S.Brunzelle, V.T.Dang, A.I.Nguyen. Metal-Alpha-Helix Peptide Frameworks. J.Am.Chem.Soc. 2025.
ISSN: ESSN 1520-5126
PubMed: 40328673
DOI: 10.1021/JACS.5C04078