Cobalt in PDB 9ml0: Co-Mahf-9 A8Q Hydrated Metal Alpha-Helix Framework

The structure of Co-Mahf-9 A8Q Hydrated Metal Alpha-Helix Framework, PDB code: 9ml0 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)	15.56 / 0.92
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	16.206, 46.634, 19.845, 90, 106.2, 90
R / Rfree (%)	13.9 / 16.7

The binding sites of Cobalt atom in the Co-Mahf-9 A8Q Hydrated Metal Alpha-Helix Framework (pdb code 9ml0). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 3 binding sites of Cobalt where determined in the Co-Mahf-9 A8Q Hydrated Metal Alpha-Helix Framework, PDB code: 9ml0:
Jump to Cobalt binding site number: 1; 2; 3;

Cobalt binding site 1 out of 3 in the Co-Mahf-9 A8Q Hydrated 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 Hydrated Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ A:Co101 b:7.6 occ:1.00 OE2 C:GLU4 2.1 6.5 0.7 O A:HOH202 2.2 11.7 1.0 ND1 A:HIS7 2.2 6.2 1.0 O C:HOH202 2.2 8.7 1.0 CE1 A:HIS7 3.0 6.6 1.0 HB3 A:HIS7 3.1 6.5 1.0 HE1 A:HIS7 3.1 8.0 1.0 CD C:GLU4 3.1 9.2 0.7 CG A:HIS7 3.2 5.3 1.0 CB A:HIS7 3.6 5.4 1.0 OE1 C:GLU4 3.7 12.2 0.7 HB2 A:HIS7 3.9 6.5 1.0 O C:HOH205 4.1 24.1 1.0 HG2 C:GLU4 4.2 10.1 0.7 OE1 A:GLU4 4.2 9.9 0.6 NE2 A:HIS7 4.2 5.5 1.0 OE2 A:GLU4 4.2 12.6 0.6 CG C:GLU4 4.3 8.4 0.7 CD2 A:HIS7 4.3 5.8 1.0 O A:HOH205 4.4 33.9 0.5 OE1 C:GLN8 4.4 15.1 0.5 O C:HOH208 4.5 34.1 1.0 CD A:GLU4 4.6 9.5 0.6 O C:HOH204 4.7 26.9 1.0 HB3 C:GLU4 4.7 10.4 0.3 HE21 C:GLN8 4.9 21.8 0.5 HG3 C:GLU4 4.9 10.1 0.7 HB11 C:AIB5 4.9 7.8 1.0 HE2 A:HIS7 4.9 6.6 1.0 CA A:HIS7 5.0 6.0 1.0

Cobalt binding site 2 out of 3 in the Co-Mahf-9 A8Q Hydrated 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 Hydrated Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ C:Co101 b:6.4 occ:0.41 CO C:CO101 0.0 6.4 0.4 CO C:CO101 0.7 10.6 0.6 O C:HOH213 2.0 13.8 1.0 NE2 C:HIS7 2.1 10.0 1.0 O C:HOH210 2.2 6.3 0.5 O C:HOH216 2.3 7.5 0.4 O C:HOH210 2.3 14.4 0.6 O C:HOH216 2.4 10.6 0.6 O C:HOH212 2.5 13.4 1.0 CE1 C:HIS7 3.0 11.6 1.0 HE1 C:HIS7 3.0 13.9 1.0 CD2 C:HIS7 3.2 8.0 1.0 HD2 C:HIS7 3.5 9.6 1.0 ND1 C:HIS7 4.1 11.1 1.0 CG C:HIS7 4.3 6.5 1.0 O C:HOH215 4.5 25.3 1.0 HD1 C:HIS7 4.9 13.3 1.0

Cobalt binding site 3 out of 3 in the Co-Mahf-9 A8Q Hydrated Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Co-Mahf-9 A8Q Hydrated Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ C:Co101 b:10.6 occ:0.59 CO C:CO101 0.0 10.6 0.6 CO C:CO101 0.7 6.4 0.4 O C:HOH212 1.8 13.4 1.0 O C:HOH216 2.1 10.6 0.6 O C:HOH210 2.1 14.4 0.6 NE2 C:HIS7 2.3 10.0 1.0 O C:HOH216 2.3 7.5 0.4 O C:HOH210 2.4 6.3 0.5 O C:HOH213 2.7 13.8 1.0 CD2 C:HIS7 3.2 8.0 1.0 CE1 C:HIS7 3.2 11.6 1.0 HD2 C:HIS7 3.3 9.6 1.0 HE1 C:HIS7 3.4 13.9 1.0 O C:HOH215 4.0 25.3 1.0 ND1 C:HIS7 4.3 11.1 1.0 CG C:HIS7 4.3 6.5 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