Iron in PDB 6vp3: Artificial Metalloproteins with Dinuclear Iron Centers

The structure of Artificial Metalloproteins with Dinuclear Iron Centers, PDB code: 6vp3 was solved by K.R.Miller, A.H.Follmer, A.J.Jasniewski, S.Sabuncu, S.Biswas, T.Albert, M.P.Hendrich, P.Moenne-Loccoz, A.S.Borovik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.19 / 1.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	193.503, 57.861, 57.861, 90, 107.4, 90
R / Rfree (%)	17.6 / 22.1

The binding sites of Iron atom in the Artificial Metalloproteins with Dinuclear Iron Centers (pdb code 6vp3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Artificial Metalloproteins with Dinuclear Iron Centers, PDB code: 6vp3:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Artificial Metalloproteins with Dinuclear Iron Centers


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Artificial Metalloproteins with Dinuclear Iron Centers within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:27.3 occ:1.00 FE1 A:KM3201 0.0 27.3 1.0 OH A:TYR124 1.8 19.0 1.0 N4 A:KM3201 1.9 32.6 1.0 N5 A:KM3201 2.0 33.0 1.0 N3 A:KM3201 2.0 28.8 1.0 O A:HOH301 2.1 29.5 1.0 O A:ACT202 2.2 22.4 1.0 C16 A:KM3201 2.8 39.0 1.0 C17 A:KM3201 2.9 30.1 1.0 C12 A:KM3201 2.9 33.2 1.0 C11 A:KM3201 2.9 31.2 1.0 C22 A:KM3201 3.0 36.5 1.0 C18 A:KM3201 3.0 29.9 1.0 C23 A:KM3201 3.0 28.4 1.0 CZ A:TYR124 3.1 15.6 1.0 C A:ACT202 3.2 31.9 1.0 OXT A:ACT202 3.6 30.9 1.0 CE2 A:TYR124 3.7 17.0 1.0 C26 A:KM3201 3.9 24.2 1.0 FE1 D:KM3201 3.9 28.0 1.0 C15 A:KM3201 4.0 40.3 1.0 C13 A:KM3201 4.1 34.3 1.0 CE1 A:TYR124 4.1 17.4 1.0 C21 A:KM3201 4.3 37.5 1.0 C19 A:KM3201 4.3 35.5 1.0 OH D:TYR124 4.4 34.2 1.0 C22 D:KM3201 4.4 44.1 1.0 C14 A:KM3201 4.5 41.8 1.0 N5 D:KM3201 4.5 38.4 1.0 CH3 A:ACT202 4.6 33.8 1.0 N4 D:KM3201 4.7 30.3 1.0 C16 D:KM3201 4.8 35.3 1.0 C20 A:KM3201 4.8 38.9 1.0 C25 A:KM3201 5.0 18.5 1.0

Iron binding site 2 out of 4 in the Artificial Metalloproteins with Dinuclear Iron Centers


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Artificial Metalloproteins with Dinuclear Iron Centers within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:29.3 occ:1.00 FE1 B:KM3201 0.0 29.3 1.0 OH B:TYR124 1.8 33.3 1.0 N4 B:KM3201 1.9 31.6 1.0 N5 B:KM3201 2.0 33.7 1.0 N3 B:KM3201 2.0 30.0 1.0 OXT B:ACT202 2.4 26.2 1.0 C16 B:KM3201 2.8 36.9 1.0 C12 B:KM3201 2.8 30.9 1.0 C11 B:KM3201 2.9 31.3 1.0 C17 B:KM3201 2.9 28.8 1.0 C18 B:KM3201 2.9 34.2 1.0 C22 B:KM3201 2.9 35.7 1.0 C23 B:KM3201 3.0 29.3 1.0 CZ B:TYR124 3.0 26.2 1.0 C B:ACT202 3.4 27.3 1.0 C26 B:KM3201 3.5 26.1 1.0 CE2 B:TYR124 3.6 23.0 1.0 O B:ACT202 3.8 22.7 1.0 FE1 C:KM3201 4.0 26.8 1.0 C15 B:KM3201 4.0 39.2 1.0 C13 B:KM3201 4.0 37.4 1.0 CE1 B:TYR124 4.1 23.7 1.0 C19 B:KM3201 4.2 40.1 1.0 C21 B:KM3201 4.2 36.9 1.0 C14 B:KM3201 4.5 43.0 1.0 OH C:TYR124 4.7 25.6 1.0 CH3 B:ACT202 4.7 31.4 1.0 C20 B:KM3201 4.8 40.5 1.0 N5 C:KM3201 4.8 35.2 1.0 N4 C:KM3201 4.8 29.7 1.0 C22 C:KM3201 4.8 37.6 1.0 C16 C:KM3201 4.8 34.5 1.0 C25 B:KM3201 4.9 21.1 1.0 CD2 B:TYR124 5.0 20.5 1.0

Iron binding site 3 out of 4 in the Artificial Metalloproteins with Dinuclear Iron Centers


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Artificial Metalloproteins with Dinuclear Iron Centers within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:26.8 occ:1.00 FE1 C:KM3201 0.0 26.8 1.0 OH C:TYR124 1.8 25.6 1.0 N4 C:KM3201 1.9 29.7 1.0 N5 C:KM3201 2.0 35.2 1.0 N3 C:KM3201 2.0 31.3 1.0 O B:ACT202 2.2 22.7 1.0 C16 C:KM3201 2.8 34.5 1.0 C12 C:KM3201 2.9 32.5 1.0 C17 C:KM3201 2.9 30.5 1.0 C22 C:KM3201 3.0 37.6 1.0 C18 C:KM3201 3.0 34.7 1.0 C11 C:KM3201 3.0 30.9 1.0 C23 C:KM3201 3.0 29.6 1.0 CZ C:TYR124 3.1 20.6 1.0 C B:ACT202 3.1 27.3 1.0 OXT B:ACT202 3.5 26.2 1.0 C26 C:KM3201 3.7 26.4 1.0 CE2 C:TYR124 3.8 18.7 1.0 FE1 B:KM3201 4.0 29.3 1.0 C15 C:KM3201 4.0 34.9 1.0 CE1 C:TYR124 4.0 19.9 1.0 C13 C:KM3201 4.1 32.3 1.0 OH B:TYR124 4.2 33.3 1.0 C21 C:KM3201 4.3 39.3 1.0 C19 C:KM3201 4.3 39.7 1.0 CH3 B:ACT202 4.4 31.4 1.0 C14 C:KM3201 4.5 36.2 1.0 C16 B:KM3201 4.6 36.9 1.0 N4 B:KM3201 4.6 31.6 1.0 C22 B:KM3201 4.6 35.7 1.0 N5 B:KM3201 4.6 33.7 1.0 C20 C:KM3201 4.8 40.6 1.0 C25 C:KM3201 4.9 19.2 1.0

Iron binding site 4 out of 4 in the Artificial Metalloproteins with Dinuclear Iron Centers


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Artificial Metalloproteins with Dinuclear Iron Centers within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:28.0 occ:1.00 FE1 D:KM3201 0.0 28.0 1.0 OH D:TYR124 1.7 34.2 1.0 N4 D:KM3201 1.9 30.3 1.0 N5 D:KM3201 2.0 38.4 1.0 N3 D:KM3201 2.0 30.0 1.0 O A:HOH301 2.3 29.5 1.0 OXT A:ACT202 2.4 30.9 1.0 C16 D:KM3201 2.9 35.3 1.0 C22 D:KM3201 2.9 44.1 1.0 C17 D:KM3201 2.9 30.2 1.0 C12 D:KM3201 2.9 32.5 1.0 C18 D:KM3201 2.9 36.4 1.0 C23 D:KM3201 2.9 26.2 1.0 C11 D:KM3201 2.9 29.5 1.0 CZ D:TYR124 3.0 25.7 1.0 C A:ACT202 3.3 31.9 1.0 C26 D:KM3201 3.7 24.4 1.0 O A:ACT202 3.7 22.4 1.0 CE1 D:TYR124 3.8 22.9 1.0 FE1 A:KM3201 3.9 27.3 1.0 CE2 D:TYR124 4.0 25.0 1.0 C15 D:KM3201 4.1 36.9 1.0 C13 D:KM3201 4.1 31.6 1.0 C19 D:KM3201 4.2 45.7 1.0 C21 D:KM3201 4.2 44.6 1.0 OH A:TYR124 4.2 19.0 1.0 CH3 A:ACT202 4.5 33.8 1.0 C14 D:KM3201 4.6 36.3 1.0 N4 A:KM3201 4.7 32.6 1.0 N5 A:KM3201 4.7 33.0 1.0 C16 A:KM3201 4.7 39.0 1.0 C20 D:KM3201 4.7 46.5 1.0 C22 A:KM3201 4.8 36.5 1.0 C25 D:KM3201 4.9 17.7 1.0

K.R.Miller, S.Biswas, A.J.Jasniewski, A.H.Follmer, A.Biswas, T.Albert, S.Sabuncu, E.L.Bominaar, M.P.Hendrich, P.Moenne-Loccoz, A.S.Borovik. Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers To Be Published.