Iron in PDB 9mkj: Fe-Mahf-9 A8S Metal Alpha-Helix Framework

The structure of Fe-Mahf-9 A8S Metal Alpha-Helix Framework, PDB code: 9mkj 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)	15.53 / 1.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	16.206, 84.925, 30.61, 90, 103.73, 90
R / Rfree (%)	20.5 / 21.1

The binding sites of Iron atom in the Fe-Mahf-9 A8S Metal Alpha-Helix Framework (pdb code 9mkj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 9 binding sites of Iron where determined in the Fe-Mahf-9 A8S Metal Alpha-Helix Framework, PDB code: 9mkj:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iron binding site 1 out of 9 in the Fe-Mahf-9 A8S Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fe-Mahf-9 A8S Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:10.0 occ:1.00 ND1 B:HIS7 2.2 8.2 1.0 OE2 I:GLU4 2.2 12.3 1.0 ND1 I:HIS7 2.2 10.3 1.0 OE1 I:GLU4 2.3 14.7 1.0 OE1 B:GLU4 2.4 11.3 0.8 OE2 B:GLU4 2.4 12.2 0.8 OE2 B:GLU4 2.5 24.2 0.2 CD I:GLU4 2.6 15.5 1.0 OE1 B:GLU4 2.6 22.9 0.2 CD B:GLU4 2.7 11.9 0.8 CD B:GLU4 2.9 23.4 0.2 CE1 B:HIS7 3.1 7.8 1.0 HB2 I:HIS7 3.2 12.8 1.0 CG I:HIS7 3.2 11.1 1.0 CG B:HIS7 3.2 7.4 1.0 CE1 I:HIS7 3.2 12.8 1.0 HE1 B:HIS7 3.2 9.4 1.0 HB3 I:HIS7 3.2 12.8 1.0 HB3 B:HIS7 3.3 11.2 1.0 HB2 B:HIS7 3.3 11.2 1.0 HE1 I:HIS7 3.4 15.4 1.0 CB I:HIS7 3.4 10.7 1.0 CB B:HIS7 3.5 9.3 1.0 HA B:GLU4 4.0 11.1 0.8 HA I:GLU4 4.0 18.6 1.0 HA B:GLU4 4.0 18.7 0.2 CG I:GLU4 4.1 16.2 1.0 NE2 B:HIS7 4.2 7.2 1.0 CG B:GLU4 4.2 10.0 0.8 CD2 B:HIS7 4.3 8.8 1.0 NE2 I:HIS7 4.3 13.8 1.0 CD2 I:HIS7 4.3 10.4 1.0 O I:HOH102 4.3 39.4 1.0 CG B:GLU4 4.4 22.2 0.2 HG2 I:GLU4 4.4 19.4 1.0 HG3 I:GLU4 4.5 19.4 1.0 O B:HOH201 4.5 19.6 1.0 HG2 B:GLU4 4.6 12.0 0.8 HG3 B:GLU4 4.6 12.0 0.8 HG2 B:GLU4 4.7 26.7 0.2 CA I:GLU4 4.8 15.4 1.0 HB3 I:GLU4 4.8 19.7 1.0 CB I:GLU4 4.8 16.4 1.0 CA B:GLU4 4.9 9.2 0.8 CA B:GLU4 4.9 15.6 0.2 HG3 B:GLU4 4.9 26.7 0.2 CA I:HIS7 4.9 10.0 1.0 HB3 B:GLU4 5.0 13.0 0.8 HB3 B:GLU4 5.0 23.4 0.2 CB B:GLU4 5.0 10.8 0.8 HE2 B:HIS7 5.0 8.7 1.0

Iron binding site 2 out of 9 in the Fe-Mahf-9 A8S Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fe-Mahf-9 A8S Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe101 b:9.4 occ:1.00 OE1 J:GLU4 2.1 20.3 1.0 ND1 C:HIS7 2.1 9.3 1.0 OE1 C:GLU4 2.1 13.0 1.0 ND1 J:HIS7 2.2 9.9 1.0 OE2 J:GLU4 2.6 24.5 1.0 OE2 C:GLU4 2.6 18.6 1.0 CD J:GLU4 2.6 19.7 1.0 CD C:GLU4 2.7 13.4 1.0 CE1 C:HIS7 3.1 9.3 1.0 CE1 J:HIS7 3.1 11.8 1.0 CG C:HIS7 3.1 6.8 1.0 CG J:HIS7 3.2 9.4 1.0 HB2 J:HIS7 3.2 10.6 1.0 HB2 C:HIS7 3.2 9.7 1.0 HB3 C:HIS7 3.3 9.7 1.0 HE1 C:HIS7 3.3 11.2 1.0 HE1 J:HIS7 3.3 14.1 1.0 HB3 J:HIS7 3.3 10.6 1.0 CB C:HIS7 3.4 8.0 1.0 CB J:HIS7 3.4 8.9 1.0 O J:HOH101 3.7 17.5 0.7 HA J:GLU4 3.8 16.4 1.0 HA C:GLU4 4.0 11.9 1.0 CG J:GLU4 4.1 17.0 1.0 H23 C:CCN102 4.1 35.4 1.0 NE2 C:HIS7 4.2 8.3 1.0 CG C:GLU4 4.2 12.9 1.0 NE2 J:HIS7 4.2 13.3 1.0 CD2 C:HIS7 4.2 7.6 1.0 H22 C:CCN102 4.3 35.4 1.0 O C:HOH202 4.3 31.9 1.0 CD2 J:HIS7 4.3 11.0 1.0 HG2 J:GLU4 4.6 20.4 1.0 HG3 J:GLU4 4.6 20.4 1.0 HG3 C:GLU4 4.6 15.4 1.0 CA J:GLU4 4.6 13.6 1.0 HB3 J:GLU4 4.6 19.3 1.0 C2 C:CCN102 4.7 29.5 1.0 HG2 C:GLU4 4.7 15.4 1.0 O J:HOH101 4.7 16.2 0.3 CB J:GLU4 4.7 16.1 1.0 HB3 C:GLU4 4.8 14.4 1.0 CA C:GLU4 4.8 9.9 1.0 CB C:GLU4 4.9 12.0 1.0 CA C:HIS7 4.9 9.4 1.0 CA J:HIS7 4.9 6.9 1.0 O C:HOH207 5.0 18.0 1.0 HE2 C:HIS7 5.0 10.0 1.0

Iron binding site 3 out of 9 in the Fe-Mahf-9 A8S Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Fe-Mahf-9 A8S Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe101 b:7.0 occ:0.67 FE D:FE2101 0.0 7.0 0.7 ND1 H:HIS7 1.1 8.9 0.4 CE1 H:HIS7 1.5 7.8 0.4 HE1 H:HIS7 1.7 9.3 0.4 FE D:FE2101 1.7 5.3 0.3 OE1 D:GLU4 2.0 10.4 0.6 ND1 H:HIS7 2.1 4.9 0.6 OE1 H:GLU4 2.1 10.4 0.6 ND1 D:HIS7 2.2 9.5 0.6 CG H:HIS7 2.4 7.7 0.4 ND1 D:HIS7 2.5 12.3 0.4 OE2 H:GLU4 2.7 12.8 0.6 CD H:GLU4 2.7 11.8 0.6 CD D:GLU4 2.8 9.4 0.6 NE2 H:HIS7 2.8 11.0 0.4 OE2 H:GLU4 2.8 8.0 0.4 OE2 D:GLU4 2.9 14.8 0.6 HE1 D:HIS7 2.9 15.9 0.4 CE1 D:HIS7 2.9 13.2 0.4 CG H:HIS7 3.1 4.7 0.6 HB3 H:HIS7 3.1 7.1 0.6 CE1 H:HIS7 3.1 5.0 0.6 HB2 D:HIS7 3.1 10.1 0.6 HB3 D:HIS7 3.1 10.1 0.6 CG D:HIS7 3.1 7.3 0.6 CD2 H:HIS7 3.2 7.8 0.4 OE1 H:GLU4 3.2 6.4 0.4 HB2 H:HIS7 3.2 7.1 0.6 CD H:GLU4 3.2 7.0 0.4 CE1 D:HIS7 3.3 6.5 0.6 CB H:HIS7 3.3 5.9 0.6 HE1 H:HIS7 3.3 6.0 0.6 CB D:HIS7 3.3 8.4 0.6 CB H:HIS7 3.4 8.7 0.4 HB3 H:HIS7 3.4 10.5 0.4 HE1 D:HIS7 3.5 7.8 0.6 HE2 H:HIS7 3.5 13.2 0.4 HB2 H:HIS7 3.5 10.5 0.4 OE2 D:GLU4 3.5 13.1 0.5 CG D:HIS7 3.6 11.0 0.4 HA H:GLU4 3.8 6.4 0.4 HA D:GLU4 3.8 11.3 0.6 HA H:GLU4 3.9 10.8 0.6 HB3 D:HIS7 3.9 10.6 0.4 NE2 D:HIS7 4.0 8.4 0.4 OE1 D:GLU4 4.1 12.5 0.5 HD2 H:HIS7 4.1 9.3 0.4 CD D:GLU4 4.2 13.8 0.5 CG H:GLU4 4.2 8.5 0.6 CB D:HIS7 4.2 8.8 0.4 CG D:GLU4 4.2 7.9 0.6 NE2 H:HIS7 4.2 4.9 0.6 CD2 H:HIS7 4.2 5.0 0.6 CD2 D:HIS7 4.3 9.7 0.6 NE2 D:HIS7 4.3 7.9 0.6 HB2 D:HIS7 4.4 10.6 0.4 CD2 D:HIS7 4.4 10.9 0.4 O H:HOH110 4.4 32.2 1.0 CG H:GLU4 4.5 7.8 0.4 HG2 H:GLU4 4.5 9.4 0.4 O H:HOH101 4.5 31.9 1.0 HB3 F:GLU4 4.5 6.3 0.4 HB3 D:GLU4 4.5 9.8 0.6 O D:HOH210 4.6 21.6 1.0 HB3 H:GLU4 4.6 10.9 0.6 HG3 H:GLU4 4.6 10.2 0.6 CA D:GLU4 4.6 9.4 0.6 HB21 H:AIB3 4.7 8.9 0.4 HG2 H:GLU4 4.7 10.2 0.6 CA H:GLU4 4.7 5.3 0.4 HE2 D:HIS7 4.7 10.2 0.4 HG3 D:GLU4 4.7 9.5 0.6 HG2 D:GLU4 4.7 9.5 0.6 O H:AIB3 4.7 7.3 0.4 CB D:GLU4 4.7 8.2 0.6 CA H:GLU4 4.7 8.9 0.6 CB H:GLU4 4.8 9.0 0.6 CA H:HIS7 4.8 6.7 0.4 CA H:HIS7 4.8 6.5 0.6 CA D:HIS7 4.9 7.5 0.6 H H:HIS7 4.9 7.8 0.4 HB2 F:GLU4 4.9 6.3 0.4 O F:HOH201 4.9 19.0 0.8 HA H:HIS7 5.0 8.1 0.4 HG3 F:GLU4 5.0 11.8 0.4

Iron binding site 4 out of 9 in the Fe-Mahf-9 A8S Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Fe-Mahf-9 A8S Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe101 b:5.3 occ:0.33 FE D:FE2101 0.0 5.3 0.3 OE1 D:GLU4 1.1 10.4 0.6 FE D:FE2101 1.7 7.0 0.7 OE1 H:GLU4 1.9 10.4 0.6 OE1 H:GLU4 2.0 6.4 0.4 ND1 H:HIS7 2.3 8.9 0.4 CD D:GLU4 2.3 9.4 0.6 OE2 H:GLU4 2.3 8.0 0.4 OE2 D:GLU4 2.4 13.1 0.5 OE1 D:GLU4 2.4 12.5 0.5 ND1 D:HIS7 2.4 12.3 0.4 CD H:GLU4 2.5 7.0 0.4 HB2 D:HIS7 2.6 10.1 0.6 CD D:GLU4 2.7 13.8 0.5 HA D:GLU4 2.9 11.3 0.6 CD H:GLU4 3.0 11.8 0.6 HB3 D:GLU4 3.0 9.8 0.6 ND1 D:HIS7 3.1 9.5 0.6 OE2 D:GLU4 3.2 14.8 0.6 CE1 H:HIS7 3.2 7.8 0.4 CB D:HIS7 3.2 8.4 0.6 HB3 D:HIS7 3.3 10.1 0.6 CG H:HIS7 3.3 7.7 0.4 HB3 D:HIS7 3.3 10.6 0.4 HE1 H:HIS7 3.4 9.3 0.4 HB2 D:HIS7 3.4 10.6 0.4 CG D:HIS7 3.4 11.0 0.4 CG D:GLU4 3.4 7.9 0.6 HB2 H:HIS7 3.4 10.5 0.4 CE1 D:HIS7 3.4 13.2 0.4 HB3 H:HIS7 3.4 10.5 0.4 CB D:GLU4 3.4 8.2 0.6 O D:HOH210 3.5 21.6 1.0 CA D:GLU4 3.5 9.4 0.6 CG D:HIS7 3.5 7.3 0.6 OE2 H:GLU4 3.6 12.8 0.6 HE1 D:HIS7 3.6 15.9 0.4 CB D:HIS7 3.6 8.8 0.4 CB H:HIS7 3.6 8.7 0.4 HB3 H:HIS7 3.7 7.1 0.6 O D:GLU4 3.7 8.0 0.6 HB2 H:HIS7 3.7 7.1 0.6 ND1 H:HIS7 3.8 4.9 0.6 HA H:GLU4 3.8 6.4 0.4 HG3 D:GLU4 3.8 9.5 0.6 HA D:GLU4 3.9 14.6 0.5 CG H:GLU4 4.0 7.8 0.4 C D:GLU4 4.1 8.4 0.6 HG2 D:GLU4 4.1 9.5 0.6 CB H:HIS7 4.1 5.9 0.6 CG D:GLU4 4.1 14.1 0.5 CE1 D:HIS7 4.2 6.5 0.6 CG H:GLU4 4.3 8.5 0.6 HB3 H:GLU4 4.3 10.9 0.6 O D:HOH205 4.3 26.7 1.0 HG2 H:GLU4 4.3 9.4 0.4 NE2 H:HIS7 4.4 11.0 0.4 HA H:GLU4 4.4 10.8 0.6 HB2 D:GLU4 4.4 9.8 0.6 CG H:HIS7 4.4 4.7 0.6 HG3 H:GLU4 4.4 10.2 0.6 HG2 D:GLU4 4.4 16.9 0.5 CD2 H:HIS7 4.4 7.8 0.4 HB3 H:GLU4 4.5 7.9 0.4 NE2 D:HIS7 4.5 8.4 0.4 CD2 D:HIS7 4.5 10.9 0.4 HG3 H:GLU4 4.5 9.4 0.4 HE1 D:HIS7 4.5 7.8 0.6 CA D:HIS7 4.6 7.5 0.6 CB H:GLU4 4.6 6.6 0.4 CA H:GLU4 4.6 5.3 0.4 HG3 D:GLU4 4.6 16.9 0.5 H D:HIS7 4.7 7.4 0.6 CB H:GLU4 4.7 9.0 0.6 CA D:GLU4 4.8 12.2 0.5 H D:SER8 4.8 7.0 0.6 N D:GLU4 4.8 6.8 0.6 HB3 D:GLU4 4.8 18.7 0.5 CD2 D:HIS7 4.8 9.7 0.6 CB D:GLU4 4.8 15.6 0.5 CE1 H:HIS7 4.8 5.0 0.6 C D:HIS7 5.0 8.2 0.6 N D:SER8 5.0 5.8 0.6

Iron binding site 5 out of 9 in the Fe-Mahf-9 A8S Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Fe-Mahf-9 A8S Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe101 b:6.1 occ:0.68 FE E:FE2101 0.0 6.1 0.7 OE1 G:GLU4 1.2 5.7 0.4 OE1 E:GLU4 1.8 11.6 0.5 FE E:FE2101 1.9 5.6 0.3 ND1 E:HIS7 2.1 6.8 0.6 O E:HOH205 2.1 8.4 0.4 ND1 G:HIS7 2.2 7.4 0.7 OE2 G:GLU4 2.3 5.8 0.6 OE2 E:GLU4 2.3 7.4 0.5 OE1 E:GLU4 2.3 6.2 0.5 OE1 G:GLU4 2.3 7.7 0.6 CD G:GLU4 2.3 6.8 0.4 CD G:GLU4 2.6 5.4 0.6 CD E:GLU4 2.6 6.0 0.5 HB2 E:HIS7 2.8 14.6 0.4 CD E:GLU4 2.9 14.2 0.5 CE1 E:HIS7 3.0 5.1 0.6 OE2 G:GLU4 3.1 7.5 0.4 CG E:HIS7 3.1 7.3 0.6 CE1 G:HIS7 3.2 7.7 0.7 CG G:HIS7 3.2 7.5 0.7 HE1 E:HIS7 3.2 6.1 0.6 HB3 E:HIS7 3.2 9.8 0.6 HB3 E:HIS7 3.2 14.6 0.4 HB3 G:GLU4 3.3 11.2 0.4 HB2 E:HIS7 3.3 9.8 0.6 HE1 G:HIS7 3.3 9.2 0.7 HB2 G:HIS7 3.3 7.8 0.7 HB3 G:HIS7 3.3 7.8 0.7 CG G:GLU4 3.4 6.8 0.4 HA E:GLU4 3.4 9.7 0.5 CB E:HIS7 3.4 8.2 0.6 CB E:HIS7 3.4 12.2 0.4 HB2 G:HIS7 3.5 13.6 0.3 CB G:HIS7 3.5 6.5 0.7 HG3 G:GLU4 3.5 8.1 0.4 OE2 E:GLU4 3.6 15.3 0.5 HB3 E:GLU4 3.6 12.7 0.5 HA G:GLU4 3.7 9.6 0.4 CB G:GLU4 3.7 9.3 0.4 ND1 E:HIS7 3.8 13.8 0.4 ND1 G:HIS7 3.8 15.3 0.3 HA G:GLU4 3.9 6.5 0.6 HB3 G:HIS7 3.9 13.6 0.3 O E:GLU4 4.0 12.4 0.5 HA E:GLU4 4.0 8.5 0.5 CG E:HIS7 4.0 14.3 0.4 CB G:HIS7 4.1 11.3 0.3 CG E:GLU4 4.1 12.2 0.5 CB E:GLU4 4.1 10.6 0.5 O E:HOH203 4.1 27.6 1.0 CG G:GLU4 4.1 4.9 0.6 CA E:GLU4 4.1 8.1 0.5 CG E:GLU4 4.1 5.3 0.5 NE2 E:HIS7 4.2 8.9 0.6 HG2 G:GLU4 4.2 8.1 0.4 CD2 E:HIS7 4.2 8.3 0.6 NE2 G:HIS7 4.3 8.0 0.7 CA G:GLU4 4.3 8.0 0.4 CD2 G:HIS7 4.3 4.8 0.7 O E:HOH205 4.4 10.7 0.6 CG G:HIS7 4.4 13.2 0.3 HG2 G:GLU4 4.4 5.9 0.6 HG3 E:GLU4 4.5 14.7 0.5 HG2 E:GLU4 4.5 6.4 0.5 O L:HOH102 4.5 35.3 1.0 O G:HOH105 4.5 16.3 1.0 C E:GLU4 4.5 11.3 0.5 O E:HOH208 4.5 5.6 0.4 HG3 E:GLU4 4.5 6.4 0.5 HG3 G:GLU4 4.6 5.9 0.6 O G:HOH102 4.6 12.5 1.0 HB2 G:GLU4 4.6 11.2 0.4 CA E:HIS7 4.7 12.4 0.4 H E:SER8 4.7 11.6 0.4 CA G:GLU4 4.8 5.4 0.6 HG2 E:GLU4 4.8 14.7 0.5 C E:HIS7 4.8 10.4 0.4 O G:HOH101 4.8 17.1 1.0 CA E:GLU4 4.8 7.0 0.5 O G:GLU4 4.8 6.3 0.4 N E:SER8 4.8 9.6 0.4 CB G:GLU4 4.9 6.6 0.6 CB E:GLU4 4.9 6.6 0.5 CE1 G:HIS7 4.9 13.1 0.3 HB3 E:GLU4 4.9 7.9 0.5 HB3 G:GLU4 4.9 7.9 0.6 CA E:HIS7 4.9 6.8 0.6 HE2 E:HIS7 5.0 10.7 0.6

Iron binding site 6 out of 9 in the Fe-Mahf-9 A8S Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Fe-Mahf-9 A8S Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe101 b:5.6 occ:0.32 FE E:FE2101 0.0 5.6 0.3 ND1 G:HIS7 1.6 7.4 0.7 HE1 E:HIS7 1.7 6.1 0.6 ND1 E:HIS7 1.8 6.8 0.6 CE1 E:HIS7 1.8 5.1 0.6 CE1 G:HIS7 1.9 7.7 0.7 FE E:FE2101 1.9 6.1 0.7 OE1 G:GLU4 2.0 5.7 0.4 HE1 G:HIS7 2.1 9.2 0.7 OE1 E:GLU4 2.3 11.6 0.5 ND1 G:HIS7 2.3 15.3 0.3 ND1 E:HIS7 2.5 13.8 0.4 CG G:HIS7 2.6 7.5 0.7 CD G:GLU4 2.6 6.8 0.4 OE2 G:GLU4 2.7 7.5 0.4 OE2 E:GLU4 2.7 15.3 0.5 CD E:GLU4 2.8 14.2 0.5 NE2 G:HIS7 2.9 8.0 0.7 HB3 E:HIS7 3.0 14.6 0.4 CG E:HIS7 3.0 7.3 0.6 HB2 E:HIS7 3.1 14.6 0.4 NE2 E:HIS7 3.1 8.9 0.6 HB3 G:HIS7 3.1 13.6 0.3 OE2 E:GLU4 3.2 7.4 0.5 HB2 G:HIS7 3.2 13.6 0.3 CG G:HIS7 3.2 13.2 0.3 CD2 G:HIS7 3.2 4.8 0.7 CG E:HIS7 3.3 14.3 0.4 CB E:HIS7 3.3 12.2 0.4 CB G:HIS7 3.3 11.3 0.3 CE1 G:HIS7 3.3 13.1 0.3 HB3 G:HIS7 3.4 7.8 0.7 O E:HOH215 3.4 10.2 0.4 OE2 G:GLU4 3.5 5.8 0.6 CB G:HIS7 3.5 6.5 0.7 CE1 E:HIS7 3.5 10.1 0.4 HE2 G:HIS7 3.5 9.6 0.7 HE1 G:HIS7 3.6 15.7 0.3 CD2 E:HIS7 3.6 8.3 0.6 HA E:GLU4 3.6 9.7 0.5 HE2 E:HIS7 3.7 10.7 0.6 HB2 G:HIS7 3.8 7.8 0.7 HE1 E:HIS7 3.8 12.1 0.4 HA G:GLU4 3.8 9.6 0.4 O E:HOH205 3.8 8.4 0.4 CD E:GLU4 3.9 6.0 0.5 OE1 E:GLU4 3.9 6.2 0.5 OE1 G:GLU4 3.9 7.7 0.6 HB3 E:HIS7 3.9 9.8 0.6 CD G:GLU4 4.0 5.4 0.6 CB E:HIS7 4.0 8.2 0.6 HD2 G:HIS7 4.1 5.8 0.7 O G:HOH101 4.1 17.1 1.0 CG G:GLU4 4.1 6.8 0.4 O E:HOH208 4.1 5.6 0.4 CG E:GLU4 4.2 12.2 0.5 HB2 E:HIS7 4.3 9.8 0.6 CD2 G:HIS7 4.3 10.6 0.3 NE2 G:HIS7 4.4 7.2 0.3 HB3 G:GLU4 4.4 11.2 0.4 CD2 E:HIS7 4.5 12.9 0.4 HG3 G:GLU4 4.5 8.1 0.4 CA E:GLU4 4.5 8.1 0.5 HD2 E:HIS7 4.5 9.9 0.6 NE2 E:HIS7 4.6 13.3 0.4 HB3 E:GLU4 4.6 12.7 0.5 HG2 G:GLU4 4.6 8.1 0.4 CB G:GLU4 4.6 9.3 0.4 HA G:GLU4 4.6 6.5 0.6 CA G:GLU4 4.6 8.0 0.4 HG2 E:GLU4 4.6 14.7 0.5 CB E:GLU4 4.7 10.6 0.5 HG3 E:GLU4 4.8 14.7 0.5 CA E:HIS7 4.8 12.4 0.4 CA G:HIS7 4.9 8.4 0.3 CA G:HIS7 4.9 7.3 0.7 HB21 E:AIB3 4.9 8.9 0.6 HA E:GLU4 4.9 8.5 0.5 HA G:HIS7 4.9 8.8 0.7 HB21 G:AIB3 5.0 6.4 0.6

Iron binding site 7 out of 9 in the Fe-Mahf-9 A8S Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Fe-Mahf-9 A8S Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe101 b:8.1 occ:0.69 FE F:FE2101 0.0 8.1 0.7 FE F:FE2101 0.8 5.3 0.3 ND1 L:HIS7 2.0 9.9 1.0 OE2 L:GLU4 2.1 10.5 1.0 ND1 F:HIS7 2.1 8.6 0.6 OE1 L:GLU4 2.2 10.0 1.0 OE2 F:GLU4 2.3 7.7 0.6 OE1 F:GLU4 2.4 8.1 0.6 CD L:GLU4 2.4 10.6 1.0 ND1 F:HIS7 2.4 10.6 0.4 CD F:GLU4 2.7 7.2 0.6 CE1 L:HIS7 2.9 10.2 1.0 CE1 F:HIS7 3.0 7.8 0.6 CG L:HIS7 3.0 8.3 1.0 HE1 L:HIS7 3.1 12.3 1.0 OE2 F:GLU4 3.1 11.9 0.4 HE1 F:HIS7 3.1 9.4 0.6 CG F:HIS7 3.2 6.4 0.6 OE1 F:GLU4 3.2 8.9 0.4 HB2 L:HIS7 3.3 10.4 1.0 CE1 F:HIS7 3.3 10.9 0.4 CG F:HIS7 3.4 10.0 0.4 HB3 F:HIS7 3.4 10.5 0.4 HB3 L:HIS7 3.4 10.4 1.0 HE1 F:HIS7 3.4 13.1 0.4 HB2 F:HIS7 3.4 7.3 0.6 CB L:HIS7 3.5 8.7 1.0 HB3 F:HIS7 3.5 7.3 0.6 CD F:GLU4 3.5 11.8 0.4 CB F:HIS7 3.6 6.1 0.6 HB2 F:HIS7 3.6 10.5 0.4 CB F:HIS7 3.7 8.8 0.4 HA L:GLU4 3.8 10.2 1.0 HA F:GLU4 3.9 8.8 0.6 CG L:GLU4 3.9 8.4 1.0 NE2 L:HIS7 4.0 10.4 1.0 CD2 L:HIS7 4.1 11.9 1.0 NE2 F:HIS7 4.2 8.5 0.6 CG F:GLU4 4.2 8.4 0.6 O L:HOH103 4.2 17.9 1.0 O D:HOH202 4.2 14.2 1.0 CD2 F:HIS7 4.3 7.4 0.6 HG2 L:GLU4 4.3 10.1 1.0 NE2 F:HIS7 4.3 8.7 0.4 HG3 L:GLU4 4.4 10.1 1.0 CD2 F:HIS7 4.4 10.2 0.4 HG2 F:GLU4 4.5 10.1 0.6 HA F:GLU4 4.6 7.0 0.4 O F:HOH203 4.6 20.2 1.0 CA L:GLU4 4.6 8.4 1.0 HG3 F:GLU4 4.7 10.1 0.6 O F:HOH202 4.7 16.3 1.0 CB L:GLU4 4.7 9.3 1.0 CA F:GLU4 4.7 7.3 0.6 HE2 L:HIS7 4.8 12.5 1.0 HB3 L:GLU4 4.8 11.2 1.0 O L:HOH110 4.8 29.5 0.1 CB F:GLU4 4.9 5.2 0.6 HB3 F:GLU4 4.9 6.3 0.6 HE2 F:HIS7 4.9 10.2 0.6 O L:HOH110 4.9 19.6 0.9 CA L:HIS7 5.0 7.4 1.0

Iron binding site 8 out of 9 in the Fe-Mahf-9 A8S Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Fe-Mahf-9 A8S Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe101 b:5.3 occ:0.31 FE F:FE2101 0.0 5.3 0.3 FE F:FE2101 0.8 8.1 0.7 OE1 F:GLU4 1.7 8.1 0.6 OE2 F:GLU4 1.8 7.7 0.6 CD F:GLU4 1.9 7.2 0.6 ND1 F:HIS7 2.2 8.6 0.6 OE1 L:GLU4 2.2 10.0 1.0 ND1 F:HIS7 2.3 10.6 0.4 OE2 F:GLU4 2.4 11.9 0.4 OE1 F:GLU4 2.5 8.9 0.4 OE2 L:GLU4 2.5 10.5 1.0 ND1 L:HIS7 2.6 9.9 1.0 CD L:GLU4 2.7 10.6 1.0 CD F:GLU4 2.8 11.8 0.4 CE1 F:HIS7 3.1 7.8 0.6 HE1 F:HIS7 3.2 9.4 0.6 CE1 F:HIS7 3.2 10.9 0.4 CG F:HIS7 3.2 10.0 0.4 HA F:GLU4 3.2 8.8 0.6 HB2 F:HIS7 3.3 7.3 0.6 HB2 F:HIS7 3.3 10.5 0.4 CG F:HIS7 3.3 6.4 0.6 HE1 F:HIS7 3.4 13.1 0.4 HB3 F:HIS7 3.4 10.5 0.4 HB3 L:HIS7 3.4 10.4 1.0 CG F:GLU4 3.4 8.4 0.6 HB2 L:HIS7 3.4 10.4 1.0 CG L:HIS7 3.5 8.3 1.0 CB F:HIS7 3.5 8.8 0.4 CE1 L:HIS7 3.6 10.2 1.0 CB F:HIS7 3.6 6.1 0.6 CB L:HIS7 3.7 8.7 1.0 HB3 F:HIS7 3.7 7.3 0.6 HE1 L:HIS7 3.7 12.3 1.0 HG2 F:GLU4 3.8 10.1 0.6 HA F:GLU4 3.9 7.0 0.4 HG3 F:GLU4 3.9 10.1 0.6 O D:HOH202 3.9 14.2 1.0 CA F:GLU4 4.1 7.3 0.6 CB F:GLU4 4.1 5.2 0.6 HB3 F:GLU4 4.2 6.3 0.6 HA L:GLU4 4.2 10.2 1.0 CG L:GLU4 4.2 8.4 1.0 O F:HOH202 4.2 16.3 1.0 CG F:GLU4 4.2 9.8 0.4 NE2 F:HIS7 4.3 8.5 0.6 O F:HOH203 4.3 20.2 1.0 NE2 F:HIS7 4.3 8.7 0.4 CD2 F:HIS7 4.4 10.2 0.4 CD2 F:HIS7 4.4 7.4 0.6 HG3 L:GLU4 4.5 10.1 1.0 HG2 F:GLU4 4.6 11.8 0.4 CD2 L:HIS7 4.7 11.9 1.0 NE2 L:HIS7 4.7 10.4 1.0 HG2 L:GLU4 4.7 10.1 1.0 HE2 D:HIS7 4.7 9.5 0.6 CA F:GLU4 4.8 5.8 0.4 HG3 F:GLU4 4.8 11.8 0.4 O F:HOH205 4.8 22.4 1.0 O L:HOH110 4.8 29.5 0.1 O L:HOH103 4.8 17.9 1.0 O F:GLU4 4.8 7.2 0.6 N F:GLU4 4.9 9.1 0.6 CB F:GLU4 4.9 5.3 0.4 HB3 L:GLU4 4.9 11.2 1.0 HB3 F:GLU4 4.9 6.3 0.4 CB L:GLU4 5.0 9.3 1.0

Iron binding site 9 out of 9 in the Fe-Mahf-9 A8S Metal Alpha-Helix Framework


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Fe-Mahf-9 A8S Metal Alpha-Helix Framework within 5.0Å range: probe atom residue distance (Å) B Occ K:Fe101 b:9.0 occ:1.00 ND1 K:HIS7 2.2 11.2 1.0 ND1 A:HIS7 2.2 8.1 1.0 OE1 K:GLU4 2.2 12.3 1.0 OE2 A:GLU4 2.2 12.5 1.0 OE2 K:GLU4 2.2 11.8 1.0 OE1 A:GLU4 2.3 13.9 1.0 CD K:GLU4 2.6 11.2 1.0 CD A:GLU4 2.6 12.1 1.0 CE1 K:HIS7 3.1 11.5 1.0 CE1 A:HIS7 3.1 8.5 1.0 CG K:HIS7 3.2 10.4 1.0 CG A:HIS7 3.2 8.0 1.0 HB2 K:HIS7 3.2 11.2 1.0 HE1 A:HIS7 3.2 10.2 1.0 HE1 K:HIS7 3.3 13.8 1.0 HB3 A:HIS7 3.3 7.8 1.0 HB3 K:HIS7 3.3 11.2 1.0 HB2 A:HIS7 3.4 7.8 1.0 CB K:HIS7 3.5 9.3 1.0 CB A:HIS7 3.5 6.5 1.0 HA K:GLU4 3.9 11.7 1.0 HA A:GLU4 3.9 11.8 1.0 CG A:GLU4 4.1 11.0 1.0 CG K:GLU4 4.1 11.7 1.0 NE2 K:HIS7 4.2 12.8 1.0 NE2 A:HIS7 4.3 9.8 1.0 O K:HOH203 4.3 26.3 1.0 CD2 K:HIS7 4.3 11.3 1.0 CD2 A:HIS7 4.3 7.7 1.0 O K:HOH204 4.4 23.1 1.0 HG2 A:GLU4 4.5 13.2 1.0 HG2 K:GLU4 4.5 14.1 1.0 HG3 A:GLU4 4.5 13.2 1.0 HG3 K:GLU4 4.5 14.1 1.0 O A:HOH106 4.5 41.6 1.0 CA K:GLU4 4.7 9.7 1.0 CA A:GLU4 4.8 9.8 1.0 HB3 A:GLU4 4.8 10.0 1.0 CB A:GLU4 4.8 8.3 1.0 CB K:GLU4 4.8 10.3 1.0 HB3 K:GLU4 4.9 12.4 1.0 O A:HOH105 5.0 33.2 1.0 CA K:HIS7 5.0 9.2 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