Cobalt in PDB 9meq: Co-Mahf-9 A8Q Dehydrated Metal Alpha-Helix Framework

The structure of Co-Mahf-9 A8Q Dehydrated Metal Alpha-Helix Framework, PDB code: 9meq 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)	15.51 / 1.04
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	31.046, 9.842, 44.164, 90, 91.92, 90
R / Rfree (%)	17.2 / 21.4

The binding sites of Cobalt atom in the Co-Mahf-9 A8Q Dehydrated Metal Alpha-Helix Framework (pdb code 9meq). 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 A8Q Dehydrated Metal Alpha-Helix Framework, PDB code: 9meq:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Co-Mahf-9 A8Q Dehydrated 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 A8Q Dehydrated Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ A:Co101 b:12.9 occ:0.50 OE1 A:GLU4 1.9 16.0 1.0 ND1 A:HIS7 1.9 14.5 1.0 OE2 A:GLU4 2.4 14.4 1.0 CD A:GLU4 2.4 11.6 1.0 CE1 A:HIS7 2.8 17.1 1.0 HE1 A:HIS7 2.9 20.6 1.0 CG A:HIS7 3.0 11.5 1.0 HB3 A:HIS7 3.2 12.4 1.0 CB A:HIS7 3.5 10.4 1.0 HB2 A:HIS7 3.6 12.4 1.0 NE2 A:HIS7 3.9 17.7 1.0 CG A:GLU4 3.9 11.6 1.0 CD2 A:HIS7 4.1 15.9 1.0 HA A:GLU4 4.1 10.6 1.0 HG2 A:GLU4 4.3 13.9 1.0 HG3 A:GLU4 4.4 13.9 1.0 HB3 A:GLU4 4.5 13.7 1.0 CB A:GLU4 4.7 11.5 1.0 HE2 A:HIS7 4.7 21.2 1.0 CA A:GLU4 4.9 8.9 1.0 HD2 A:HIS7 5.0 19.1 1.0 CA A:HIS7 5.0 8.0 1.0

Cobalt binding site 2 out of 2 in the Co-Mahf-9 A8Q Dehydrated 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 A8Q Dehydrated Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ B:Co101 b:23.4 occ:0.50 ND1 B:HIS7 1.9 23.2 1.0 OE1 B:GLU4 2.0 25.0 1.0 OE2 B:GLU4 2.3 25.5 1.0 HE1 B:HIS7 2.4 31.2 1.0 CD B:GLU4 2.4 21.9 1.0 CE1 B:HIS7 2.5 26.0 1.0 CG B:HIS7 3.2 20.5 1.0 HB3 B:HIS7 3.6 21.5 1.0 NE2 B:HIS7 3.7 28.4 1.0 CB B:HIS7 3.9 17.9 1.0 CG B:GLU4 3.9 18.5 1.0 CD2 B:HIS7 4.0 25.4 1.0 HG2 B:GLN8 4.1 25.9 0.7 HA B:GLU4 4.1 13.5 1.0 HB2 B:HIS7 4.2 21.5 1.0 HG3 B:GLN8 4.3 25.9 0.7 HG3 B:GLU4 4.3 22.2 1.0 HE2 B:HIS7 4.4 34.0 1.0 OE1 B:GLN8 4.4 24.2 0.7 HG2 B:GLU4 4.4 22.2 1.0 HB3 B:GLU4 4.5 15.4 1.0 CG B:GLN8 4.6 21.6 0.7 CB B:GLU4 4.7 12.9 1.0 CD B:GLN8 4.8 23.4 0.7 CA B:GLU4 4.9 11.3 1.0 HD2 B:HIS7 4.9 30.4 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