Iron in PDB 4hv5: Structure of the Mntr FE2+ Complex with E Site Metal Binding

The structure of Structure of the Mntr FE2+ Complex with E Site Metal Binding, PDB code: 4hv5 was solved by A.Glasfeld, M.B.Brophy, J.I.Kliegman, S.L.Griner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.99 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.980, 75.230, 97.400, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 28.3

The binding sites of Iron atom in the Structure of the Mntr FE2+ Complex with E Site Metal Binding (pdb code 4hv5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of the Mntr FE2+ Complex with E Site Metal Binding, PDB code: 4hv5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of the Mntr FE2+ Complex with E Site Metal Binding


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Mntr FE2+ Complex with E Site Metal Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:22.6 occ:1.00 ND1 A:HIS77 2.0 12.2 1.0 O A:HOH301 2.2 18.1 1.0 OE2 A:GLU11 2.3 39.1 1.0 OE2 A:GLU102 2.3 24.6 1.0 OE1 A:GLU102 2.3 21.3 1.0 OE2 A:GLU99 2.6 50.7 1.0 CD A:GLU102 2.6 16.5 1.0 CE1 A:HIS77 2.8 18.9 1.0 CD A:GLU11 3.0 43.5 1.0 OE1 A:GLU11 3.1 48.1 1.0 CG A:HIS77 3.1 20.5 1.0 CB A:HIS77 3.6 18.8 1.0 CD A:GLU99 3.8 43.7 1.0 NE2 A:HIS77 4.0 20.9 1.0 CG A:GLU102 4.1 12.1 1.0 CD2 A:HIS77 4.1 13.7 1.0 O A:HOH321 4.2 44.1 1.0 O A:HOH336 4.2 38.1 1.0 O A:HOH349 4.3 18.5 1.0 CG A:GLU11 4.5 34.7 1.0 CA A:HIS77 4.5 12.3 1.0 OE1 A:GLU99 4.6 43.3 1.0 CG A:GLU99 4.7 32.2 1.0 CG1 A:VAL98 4.8 15.4 1.0 CB A:GLU102 4.9 14.9 1.0 CA A:GLU99 4.9 15.7 1.0 NE2 A:HIS103 4.9 33.4 1.0 CE1 A:HIS103 4.9 27.0 1.0

Iron binding site 2 out of 4 in the Structure of the Mntr FE2+ Complex with E Site Metal Binding


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Mntr FE2+ Complex with E Site Metal Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:52.5 occ:0.76 ND1 A:HIS103 2.3 37.2 1.0 OD2 A:ASP8 2.4 46.9 1.0 O A:HOH321 2.4 44.1 1.0 O A:HOH343 2.7 34.1 1.0 CE1 A:HIS103 2.7 27.0 1.0 OD1 A:ASP8 3.0 48.8 1.0 CG A:ASP8 3.0 47.8 1.0 CG A:HIS103 3.5 35.5 1.0 O A:GLU99 3.6 26.6 1.0 OE2 A:GLU102 3.7 24.6 1.0 NE2 A:HIS103 3.9 33.4 1.0 O A:HOH333 4.0 33.0 1.0 CB A:HIS103 4.2 30.8 1.0 O A:HOH341 4.2 52.4 1.0 CG A:GLU102 4.3 12.1 1.0 CD2 A:HIS103 4.3 37.0 1.0 CD A:GLU102 4.4 16.5 1.0 CB A:ASP8 4.5 38.7 1.0 O A:HOH327 4.5 32.5 1.0 C A:GLU99 4.7 21.5 1.0

Iron binding site 3 out of 4 in the Structure of the Mntr FE2+ Complex with E Site Metal Binding


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Mntr FE2+ Complex with E Site Metal Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:22.6 occ:1.00 O B:HOH301 2.0 24.2 1.0 OE2 B:GLU11 2.1 23.2 1.0 ND1 B:HIS77 2.1 26.3 1.0 OE2 B:GLU102 2.3 28.6 1.0 OE1 B:GLU102 2.4 23.3 1.0 OE2 B:GLU99 2.5 44.7 1.0 CD B:GLU102 2.7 23.4 1.0 CD B:GLU11 2.8 22.2 1.0 OE1 B:GLU11 2.9 25.9 1.0 CE1 B:HIS77 3.1 15.3 1.0 CG B:HIS77 3.2 17.5 1.0 CB B:HIS77 3.5 13.5 1.0 CD B:GLU99 3.6 44.8 1.0 OE1 B:GLU99 4.1 42.7 1.0 O B:HOH306 4.1 20.8 1.0 O B:HOH309 4.1 23.2 1.0 O B:HOH318 4.2 38.6 1.0 NE2 B:HIS77 4.2 22.7 1.0 CG B:GLU102 4.2 18.4 1.0 CG B:GLU11 4.2 24.6 1.0 CD2 B:HIS77 4.3 22.0 1.0 CA B:HIS77 4.5 11.9 1.0 O B:HOH399 4.6 24.7 1.0 CG1 B:VAL98 4.7 18.6 1.0 CG B:GLU99 4.9 37.3 1.0 CE1 B:HIS103 5.0 41.5 1.0 CB B:GLU102 5.0 20.5 1.0

Iron binding site 4 out of 4 in the Structure of the Mntr FE2+ Complex with E Site Metal Binding


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Mntr FE2+ Complex with E Site Metal Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:19.2 occ:0.37 ND1 B:HIS103 2.2 39.5 1.0 O B:HOH399 2.3 24.7 1.0 O B:HOH384 2.4 36.6 1.0 OD2 B:ASP8 2.5 55.6 1.0 O B:HOH333 2.6 26.2 1.0 OD1 B:ASP8 2.9 52.4 1.0 CG B:ASP8 3.0 50.0 1.0 CE1 B:HIS103 3.1 41.5 1.0 CG B:HIS103 3.2 33.7 1.0 CB B:HIS103 3.6 31.4 1.0 OG B:SER5 3.9 45.7 1.0 O B:GLU99 4.1 27.0 1.0 NE2 B:HIS103 4.2 37.3 1.0 CD2 B:HIS103 4.3 30.9 1.0 CB B:ASP8 4.4 46.0 1.0 OE2 B:GLU102 4.4 28.6 1.0 CG B:GLU102 4.5 18.4 1.0 N B:ASP8 4.7 42.1 1.0 CA B:ASP8 4.7 39.3 1.0 N B:HIS103 4.8 17.3 1.0 CA B:HIS103 4.8 26.2 1.0 CB B:SER5 4.9 46.6 1.0 CD B:GLU102 4.9 23.4 1.0

A.M.Mcguire, B.J.Cuthbert, Z.Ma, K.D.Grauer-Gray, M.Brunjes Brophy, K.A.Spear, S.Soonsanga, J.I.Kliegman, S.L.Griner, J.D.Helmann, A.Glasfeld. Roles of the A and C Sites in the Manganese-Specific Activation of Mntr. Biochemistry V. 52 701 2013.
ISSN: ISSN 0006-2960
PubMed: 23298157
DOI: 10.1021/BI301550T