Iron in PDB 9eov: Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc

The structure of Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc, PDB code: 9eov was solved by B.W.Nash, A.Morales Florez, C.W.J.Lockwood, M.J.Edwards, J.N.Butt, T.A.Clarke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.87 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.275, 77.35, 96.531, 90, 90, 90
R / Rfree (%)	18.8 / 22.1

The structure of Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Iron atom in the Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc (pdb code 9eov). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc, PDB code: 9eov:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in the Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:18.4 occ:1.00 FE A:HEC401 0.0 18.4 1.0 NA A:HEC401 2.0 14.9 1.0 NC A:HEC401 2.0 16.2 1.0 NE2 A:HIS233 2.0 17.6 1.0 NB A:HEC401 2.0 17.1 1.0 NE2 A:HIS190 2.1 19.1 1.0 ND A:HEC401 2.1 19.4 1.0 CE1 A:HIS233 2.9 14.4 1.0 C1A A:HEC401 3.0 19.1 1.0 C1C A:HEC401 3.0 18.3 1.0 CE1 A:HIS190 3.0 19.7 1.0 C4A A:HEC401 3.0 19.3 1.0 C1B A:HEC401 3.0 18.2 1.0 C4C A:HEC401 3.0 18.9 1.0 CD2 A:HIS190 3.0 18.4 1.0 CD2 A:HIS233 3.1 17.0 1.0 C4D A:HEC401 3.1 18.4 1.0 C4B A:HEC401 3.1 16.4 1.0 C1D A:HEC401 3.1 20.1 1.0 CHB A:HEC401 3.4 15.5 1.0 CHC A:HEC401 3.4 15.2 1.0 CHA A:HEC401 3.4 17.4 1.0 CHD A:HEC401 3.5 13.7 1.0 ND1 A:HIS233 4.1 18.4 1.0 ND1 A:HIS190 4.2 17.9 1.0 CG A:HIS233 4.2 18.5 1.0 CG A:HIS190 4.2 18.9 1.0 C2A A:HEC401 4.3 19.3 1.0 C3A A:HEC401 4.3 17.6 1.0 C2C A:HEC401 4.3 20.4 1.0 C3C A:HEC401 4.3 16.3 1.0 C3B A:HEC401 4.3 18.1 1.0 C3D A:HEC401 4.3 18.6 1.0 C2B A:HEC401 4.4 17.1 1.0 C2D A:HEC401 4.4 16.6 1.0

Iron binding site 2 out of 5 in the Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:17.8 occ:1.00 FE A:HEC402 0.0 17.8 1.0 ND A:HEC402 2.0 15.5 1.0 NC A:HEC402 2.0 17.3 1.0 NE2 A:HIS261 2.0 19.0 1.0 NB A:HEC402 2.0 17.2 1.0 NE2 A:HIS230 2.0 17.0 1.0 NA A:HEC402 2.0 18.2 1.0 C1D A:HEC402 3.0 17.0 1.0 C1C A:HEC402 3.0 14.8 1.0 C4D A:HEC402 3.0 17.6 1.0 CD2 A:HIS261 3.0 20.5 1.0 C1B A:HEC402 3.0 21.2 1.0 CE1 A:HIS261 3.0 18.3 1.0 CE1 A:HIS230 3.0 19.3 1.0 C4B A:HEC402 3.0 19.2 1.0 CD2 A:HIS230 3.0 15.3 1.0 C4C A:HEC402 3.0 17.7 1.0 C1A A:HEC402 3.1 17.5 1.0 C4A A:HEC402 3.1 18.8 1.0 CHD A:HEC402 3.3 15.4 1.0 CHC A:HEC402 3.4 17.7 1.0 CHB A:HEC402 3.4 18.5 1.0 CHA A:HEC402 3.4 16.9 1.0 ND1 A:HIS261 4.1 18.5 1.0 ND1 A:HIS230 4.1 18.1 1.0 CG A:HIS230 4.2 15.9 1.0 CG A:HIS261 4.2 19.1 1.0 C2D A:HEC402 4.3 15.0 1.0 C3C A:HEC402 4.3 15.4 1.0 C3B A:HEC402 4.3 17.5 1.0 C3D A:HEC402 4.3 16.5 1.0 C2C A:HEC402 4.3 15.9 1.0 C2B A:HEC402 4.3 17.4 1.0 C2A A:HEC402 4.4 15.3 1.0 C3A A:HEC402 4.4 20.1 1.0 CB A:TRP273 4.9 18.8 1.0

Iron binding site 3 out of 5 in the Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:21.1 occ:1.00 FE A:HEC403 0.0 21.1 1.0 ND A:HEC403 2.0 24.8 1.0 NA A:HEC403 2.0 20.5 1.0 NB A:HEC403 2.0 22.4 1.0 NC A:HEC403 2.0 20.7 1.0 NE2 A:HIS210 2.0 20.5 1.0 NE2 A:HIS198 2.1 20.3 1.0 CE1 A:HIS210 2.9 19.8 1.0 C4A A:HEC403 3.0 20.6 1.0 C4B A:HEC403 3.0 18.3 1.0 C1D A:HEC403 3.0 25.9 1.0 C1A A:HEC403 3.0 21.6 1.0 C4D A:HEC403 3.0 22.8 1.0 CE1 A:HIS198 3.0 25.1 1.0 C4C A:HEC403 3.0 24.1 1.0 C1B A:HEC403 3.0 22.0 1.0 C1C A:HEC403 3.0 20.2 1.0 CD2 A:HIS198 3.1 20.7 1.0 CD2 A:HIS210 3.1 19.8 1.0 CHD A:HEC403 3.4 24.9 1.0 CHC A:HEC403 3.4 18.7 1.0 CHA A:HEC403 3.4 22.2 1.0 CHB A:HEC403 3.4 18.8 1.0 ND1 A:HIS210 4.1 20.3 1.0 ND1 A:HIS198 4.2 25.9 1.0 CG A:HIS198 4.2 22.2 1.0 CG A:HIS210 4.2 19.0 1.0 C2A A:HEC403 4.3 19.9 1.0 C3A A:HEC403 4.3 19.3 1.0 C3B A:HEC403 4.3 18.1 1.0 C2D A:HEC403 4.3 25.1 1.0 C3D A:HEC403 4.3 25.9 1.0 C3C A:HEC403 4.3 22.6 1.0 C2B A:HEC403 4.3 17.4 1.0 C2C A:HEC403 4.4 23.1 1.0 CG A:GLN199 4.8 24.8 1.0

Iron binding site 4 out of 5 in the Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:20.9 occ:1.00 FE A:HEC404 0.0 20.9 1.0 NE2 A:HIS319 2.0 19.0 1.0 NE2 A:HIS286 2.0 19.2 1.0 NB A:HEC404 2.0 17.7 1.0 NA A:HEC404 2.0 24.5 1.0 ND A:HEC404 2.0 20.8 1.0 NC A:HEC404 2.1 22.1 1.0 CE1 A:HIS319 2.9 21.6 1.0 CE1 A:HIS286 3.0 20.7 1.0 C1D A:HEC404 3.0 22.7 1.0 C1B A:HEC404 3.0 21.4 1.0 C4B A:HEC404 3.0 16.9 1.0 C4D A:HEC404 3.0 25.8 1.0 C4C A:HEC404 3.0 19.3 1.0 CD2 A:HIS319 3.1 23.3 1.0 C4A A:HEC404 3.1 18.9 1.0 C1A A:HEC404 3.1 24.4 1.0 C1C A:HEC404 3.1 19.0 1.0 CD2 A:HIS286 3.1 18.5 1.0 CHD A:HEC404 3.4 19.4 1.0 CHB A:HEC404 3.4 21.1 1.0 CHC A:HEC404 3.4 18.8 1.0 CHA A:HEC404 3.4 27.2 1.0 ND1 A:HIS319 4.0 23.3 1.0 ND1 A:HIS286 4.1 20.7 1.0 CG A:HIS319 4.1 23.6 1.0 CG A:HIS286 4.2 18.7 1.0 C2B A:HEC404 4.3 18.9 1.0 C3B A:HEC404 4.3 16.6 1.0 C3C A:HEC404 4.3 16.8 1.0 C2D A:HEC404 4.3 25.8 1.0 C3D A:HEC404 4.3 25.5 1.0 C3A A:HEC404 4.4 22.3 1.0 C2C A:HEC404 4.4 17.7 1.0 C2A A:HEC404 4.4 26.7 1.0 CD1 A:LEU318 4.8 27.8 1.0 CMA A:HEC405 5.0 19.9 1.0

Iron binding site 5 out of 5 in the Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Domains I and II From the Outer Membrane Cytochrome Mtrc within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe405 b:20.2 occ:1.00 FE A:HEC405 0.0 20.2 1.0 NB A:HEC405 2.0 18.5 1.0 NE2 A:HIS310 2.0 23.6 1.0 NE2 A:HIS297 2.0 21.4 1.0 ND A:HEC405 2.0 24.0 1.0 NA A:HEC405 2.0 18.7 1.0 NC A:HEC405 2.1 18.3 1.0 C1B A:HEC405 3.0 20.0 1.0 CE1 A:HIS310 3.0 22.9 1.0 C4B A:HEC405 3.0 21.0 1.0 CD2 A:HIS297 3.0 23.3 1.0 CD2 A:HIS310 3.0 21.0 1.0 CE1 A:HIS297 3.0 21.0 1.0 C4A A:HEC405 3.0 22.1 1.0 C1D A:HEC405 3.0 25.2 1.0 C4D A:HEC405 3.0 21.3 1.0 C1C A:HEC405 3.0 20.6 1.0 C1A A:HEC405 3.0 22.3 1.0 C4C A:HEC405 3.1 21.7 1.0 CHB A:HEC405 3.3 17.4 1.0 CHC A:HEC405 3.4 18.5 1.0 CHA A:HEC405 3.4 23.6 1.0 CHD A:HEC405 3.4 19.8 1.0 ND1 A:HIS310 4.1 19.2 1.0 ND1 A:HIS297 4.1 22.0 1.0 CG A:HIS310 4.1 22.7 1.0 CG A:HIS297 4.1 22.8 1.0 C2B A:HEC405 4.3 19.6 1.0 C2D A:HEC405 4.3 24.6 1.0 C3B A:HEC405 4.3 16.6 1.0 C3D A:HEC405 4.3 20.7 1.0 C3A A:HEC405 4.3 19.1 1.0 C2A A:HEC405 4.3 20.8 1.0 C2C A:HEC405 4.4 20.5 1.0 C3C A:HEC405 4.4 16.1 1.0 C2 A:EDO408 4.6 29.5 1.0 CE1 A:PHE291 4.9 20.8 1.0

A.Morales-Florez, C.W.J.Lockwood, B.W.Nash, M.J.Edwards, J.H.Van Wonderen, A.Sachdeva, J.N.Butt, T.A.Clarke. Extracellular Catalysis of Environmental Substrates By Shewanella Oneidensis Mr-1 Occurs Via Active Sites on the C-Terminal Domains of Mtrc. Protein Sci. V. 34 70243 2025.
ISSN: ESSN 1469-896X
PubMed: 40725986
DOI: 10.1002/PRO.70243