Manganese in PDB 9mfk: Mn-Mahf-9 A8S Metal Alpha-Helix Framework

The structure of Mn-Mahf-9 A8S Metal Alpha-Helix Framework, PDB code: 9mfk 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)	15.31 / 1.11
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	10.32, 16.27, 20.66, 81.28, 84.88, 71.62
R / Rfree (%)	13 / 16.1

The binding sites of Manganese atom in the Mn-Mahf-9 A8S Metal Alpha-Helix Framework (pdb code 9mfk). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Mn-Mahf-9 A8S Metal Alpha-Helix Framework, PDB code: 9mfk:

Manganese binding site 1 out of 1 in the Mn-Mahf-9 A8S Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Mn-Mahf-9 A8S Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn101 b:3.3 occ:1.00 ND1 A:HIS7 2.2 3.8 1.0 ND1 B:HIS7 2.2 4.2 1.0 O A:HOH207 2.3 4.8 1.0 OE1 A:GLU4 2.3 4.7 0.9 OE2 A:GLU4 2.4 4.7 0.9 CD A:GLU4 2.7 3.9 0.9 CE1 B:HIS7 3.1 3.3 1.0 CE1 A:HIS7 3.1 3.7 1.0 HE1 B:HIS7 3.2 4.0 1.0 HE1 A:HIS7 3.2 4.4 1.0 HB3 A:HIS7 3.3 3.4 1.0 CG B:HIS7 3.3 2.8 1.0 CG A:HIS7 3.3 2.9 1.0 HB3 B:HIS7 3.4 3.2 1.0 HB2 A:HIS7 3.6 3.4 1.0 CB A:HIS7 3.6 2.8 1.0 HB2 B:HIS7 3.6 3.2 1.0 CB B:HIS7 3.7 2.7 1.0 O A:HOH203 4.1 6.0 1.0 CG A:GLU4 4.2 3.6 0.9 HA A:GLU4 4.2 3.3 0.9 NE2 B:HIS7 4.2 2.7 1.0 NE2 A:HIS7 4.3 3.0 1.0 CD2 B:HIS7 4.3 2.8 1.0 O B:HOH108 4.4 18.2 1.0 CD2 A:HIS7 4.4 3.2 1.0 HA B:GLU4 4.4 3.6 1.0 HG2 A:GLU4 4.6 4.4 0.9 HG3 A:GLU4 4.6 4.4 0.9 O A:HOH204 4.6 11.6 1.0 HB3 A:GLU4 4.9 4.1 0.9 HE2 B:HIS7 5.0 3.2 1.0 CB A:GLU4 5.0 3.4 0.9

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