Cobalt in PDB 9ehn: Co-Mahf-9 A8T Metal Alpha-Helix Framework

The structure of Co-Mahf-9 A8T Metal Alpha-Helix Framework, PDB code: 9ehn 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)	18.97 / 0.98
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	16.47, 21.72, 23.65, 103.64, 109.38, 108.91
R / Rfree (%)	16.5 / 18.4

The binding sites of Cobalt atom in the Co-Mahf-9 A8T Metal Alpha-Helix Framework (pdb code 9ehn). 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 A8T Metal Alpha-Helix Framework, PDB code: 9ehn:
Jump to Cobalt binding site number: 1; 2; 3;

Cobalt binding site 1 out of 3 in the Co-Mahf-9 A8T 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 A8T Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ A:Co101 b:7.2 occ:1.00 OE1 A:GLU4 2.0 6.4 0.7 ND1 A:HIS7 2.0 7.4 1.0 O A:HOH201 2.2 15.4 0.7 CD A:GLU4 2.7 6.2 0.7 OE2 A:GLU4 2.7 6.9 0.7 CE1 A:HIS7 3.0 8.2 1.0 CG A:HIS7 3.0 6.9 1.0 HB2 A:HIS7 3.1 8.6 1.0 HE1 A:HIS7 3.2 9.8 1.0 HB3 A:HIS7 3.3 8.6 1.0 CB A:HIS7 3.4 7.2 1.0 HA A:GLU4 3.6 5.6 0.7 OE1 A:GLU4 3.6 11.7 0.3 HA A:GLU4 4.1 10.0 0.3 NE2 A:HIS7 4.1 8.6 1.0 CD2 A:HIS7 4.1 7.9 1.0 CG A:GLU4 4.1 6.1 0.7 O A:HOH202 4.5 29.9 1.0 CA A:GLU4 4.5 4.7 0.7 HG3 A:GLU4 4.5 7.3 0.7 O A:AIB3 4.6 6.3 0.3 HG2 A:GLU4 4.7 7.3 0.7 HB3 A:GLU4 4.7 7.0 0.7 O A:HOH203 4.7 34.3 1.0 CB A:GLU4 4.7 5.8 0.7 HB21 A:AIB3 4.8 6.9 0.3 CD A:GLU4 4.8 11.6 0.3 HB22 A:AIB3 4.8 6.9 0.3 O A:AIB3 4.9 4.9 0.7 HE2 A:HIS7 4.9 10.4 1.0 CA A:HIS7 4.9 6.0 1.0 CA A:GLU4 5.0 8.3 0.3 C A:AIB3 5.0 6.5 0.3 HB21 A:AIB3 5.0 5.6 0.7 HD2 A:HIS7 5.0 9.5 1.0

Cobalt binding site 2 out of 3 in the Co-Mahf-9 A8T 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 A8T Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ B:Co101 b:14.4 occ:0.75 CO B:CO101 0.0 14.4 0.8 OE1 B:GLU4 1.5 9.6 0.3 O B:HOH205 1.8 30.3 0.8 O B:HOH206 2.1 26.6 0.9 CO B:CO101 2.1 6.4 0.2 ND1 B:HIS7 2.2 7.7 0.4 OE1 B:GLU4 2.2 13.8 0.7 O B:HOH208 2.3 23.0 0.9 CD B:GLU4 2.7 10.2 0.3 ND1 B:HIS7 2.8 13.6 0.5 HB3 B:HIS7 3.1 10.6 0.5 CE1 B:HIS7 3.1 7.6 0.4 HB2 B:HIS7 3.2 8.3 0.1 CG B:HIS7 3.2 6.4 0.4 HB2 B:HIS7 3.3 8.0 0.4 CD B:GLU4 3.3 12.2 0.7 HB3 B:HIS7 3.3 8.0 0.4 HE1 B:HIS7 3.3 9.1 0.4 HA B:GLU4 3.4 9.0 0.3 CB B:HIS7 3.5 6.6 0.4 OE2 B:GLU4 3.5 11.1 0.3 HB3 B:GLU4 3.6 9.7 0.3 CG B:HIS7 3.7 11.4 0.5 HA B:GLU4 3.7 7.1 0.7 CB B:HIS7 3.7 8.8 0.5 OE2 B:GLU4 3.7 13.1 0.7 HB3 B:HIS7 3.7 8.3 0.1 CG B:GLU4 3.7 9.0 0.3 HB2 B:HIS7 3.8 10.6 0.5 CB B:HIS7 3.8 6.9 0.1 CE1 B:HIS7 3.8 14.0 0.5 ND1 B:HIS7 3.9 7.8 0.1 CB B:GLU4 4.0 8.1 0.3 HE1 B:HIS7 4.0 16.8 0.5 CA B:GLU4 4.1 7.5 0.3 HG3 B:GLU4 4.2 10.8 0.3 NE2 B:HIS7 4.2 6.6 0.4 CD2 B:HIS7 4.3 5.4 0.4 CG B:HIS7 4.3 7.5 0.1 HB2 B:GLU4 4.5 9.8 0.7 HG1 B:THR8 4.6 13.1 0.5 CA B:GLU4 4.6 5.9 0.7 CG B:GLU4 4.6 10.2 0.7 HG2 B:GLU4 4.6 10.8 0.3 O B:GLU4 4.6 7.2 0.3 CB B:GLU4 4.8 8.2 0.7 CD2 B:HIS7 4.9 12.6 0.5 C B:GLU4 4.9 6.9 0.3 NE2 B:HIS7 4.9 13.4 0.5 HB2 B:GLU4 4.9 9.7 0.3 CA B:HIS7 5.0 6.2 0.4

Cobalt binding site 3 out of 3 in the Co-Mahf-9 A8T 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 A8T Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ B:Co101 b:6.4 occ:0.25 CO B:CO101 0.0 6.4 0.2 ND1 B:HIS7 1.4 7.7 0.4 CE1 B:HIS7 1.4 7.6 0.4 HE1 B:HIS7 1.6 9.1 0.4 OE1 B:GLU4 2.1 9.6 0.3 CO B:CO101 2.1 14.4 0.8 O B:HOH205 2.4 30.3 0.8 ND1 B:HIS7 2.4 7.8 0.1 NE2 B:HIS7 2.5 6.6 0.4 CG B:HIS7 2.5 6.4 0.4 ND1 B:HIS7 2.7 13.6 0.5 CD B:GLU4 2.8 10.2 0.3 OE2 B:GLU4 2.8 11.1 0.3 CD2 B:HIS7 3.0 5.4 0.4 HE2 B:HIS7 3.1 7.9 0.4 HB2 B:HIS7 3.2 10.6 0.5 CG B:HIS7 3.2 7.5 0.1 HB2 B:HIS7 3.2 8.3 0.1 CE1 B:HIS7 3.2 8.0 0.1 CG B:HIS7 3.3 11.4 0.5 HB3 B:HIS7 3.4 8.3 0.1 HE1 B:HIS7 3.5 9.6 0.1 CE1 B:HIS7 3.5 14.0 0.5 HB3 B:HIS7 3.5 10.6 0.5 CB B:HIS7 3.5 6.9 0.1 CB B:HIS7 3.5 8.8 0.5 HA B:GLU4 3.7 9.0 0.3 CB B:HIS7 3.7 6.6 0.4 HB3 B:HIS7 3.7 8.0 0.4 O B:HOH206 3.7 26.6 0.9 HE1 B:HIS7 3.7 16.8 0.5 HD2 B:HIS7 3.9 6.4 0.4 HB2 B:HIS7 3.9 8.0 0.4 OE1 B:GLU4 3.9 13.8 0.7 O B:HOH208 4.0 23.0 0.9 CD2 B:HIS7 4.2 8.1 0.1 NE2 B:HIS7 4.2 8.3 0.1 HB21 B:AIB3 4.2 7.4 0.8 CD2 B:HIS7 4.3 12.6 0.5 CG B:GLU4 4.3 9.0 0.3 HA B:GLU4 4.3 7.1 0.7 NE2 B:HIS7 4.3 13.4 0.5 O B:AIB3 4.5 5.9 0.2 HB21 B:AIB3 4.5 7.3 0.2 CA B:GLU4 4.5 7.5 0.3 O B:HOH202 4.6 19.7 0.8 O B:AIB3 4.7 5.5 0.8 CB B:GLU4 4.8 8.1 0.3 HG2 B:GLU4 4.8 10.8 0.3 HB3 B:GLU4 4.9 9.7 0.3 HE2 B:HIS7 5.0 10.0 0.1 C B:AIB3 5.0 6.2 0.2 CA B:HIS7 5.0 6.2 0.4 HD2 B:HIS7 5.0 9.8 0.1

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