Iron in PDB 4jj3: Crystal Structure of Mamp in Complex with Iron(II)

The structure of Crystal Structure of Mamp in Complex with Iron(II), PDB code: 4jj3 was solved by M.Siponen, D.Pignol, P.Arnoux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.87 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.113, 96.078, 54.452, 90.00, 113.31, 90.00
R / Rfree (%)	26.4 / 29.8

The binding sites of Iron atom in the Crystal Structure of Mamp in Complex with Iron(II) (pdb code 4jj3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Mamp in Complex with Iron(II), PDB code: 4jj3:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Mamp in Complex with Iron(II)


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 Mamp in Complex with Iron(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:37.4 occ:1.00 FE A:HEC501 0.0 37.4 1.0 NE2 A:HIS216 2.0 38.7 1.0 NA A:HEC501 2.1 38.5 1.0 NB A:HEC501 2.1 38.5 1.0 NC A:HEC501 2.1 38.3 1.0 ND A:HEC501 2.1 37.0 1.0 NE2 A:HIS206 2.2 36.2 1.0 CE1 A:HIS216 2.8 40.6 1.0 CE1 A:HIS206 3.0 36.3 1.0 CD2 A:HIS216 3.0 40.9 1.0 C4C A:HEC501 3.1 36.4 1.0 C1A A:HEC501 3.1 41.6 1.0 C4A A:HEC501 3.1 39.5 1.0 C1B A:HEC501 3.1 40.4 1.0 C4B A:HEC501 3.1 37.7 1.0 C1D A:HEC501 3.1 34.7 1.0 C1C A:HEC501 3.1 37.6 1.0 C4D A:HEC501 3.2 38.1 1.0 CD2 A:HIS206 3.2 35.9 1.0 CHD A:HEC501 3.4 36.6 1.0 CHB A:HEC501 3.4 38.6 1.0 CHA A:HEC501 3.4 37.4 1.0 CHC A:HEC501 3.5 37.0 1.0 ND1 A:HIS216 4.0 41.6 1.0 CG A:HIS216 4.1 41.4 1.0 ND1 A:HIS206 4.2 36.3 1.0 CG A:HIS206 4.3 38.5 1.0 C3C A:HEC501 4.4 36.0 1.0 C3B A:HEC501 4.4 36.2 1.0 C2A A:HEC501 4.4 45.7 1.0 C3A A:HEC501 4.4 43.1 1.0 C2B A:HEC501 4.4 39.5 1.0 C2C A:HEC501 4.4 37.1 1.0 C2D A:HEC501 4.5 31.2 1.0 C3D A:HEC501 4.5 34.6 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Mamp in Complex with Iron(II)


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 Mamp in Complex with Iron(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:35.4 occ:1.00 FE A:HEC502 0.0 35.4 1.0 NE2 A:HIS246 1.9 35.5 1.0 NE2 A:HIS256 2.0 43.7 1.0 NB A:HEC502 2.1 38.4 1.0 NC A:HEC502 2.1 39.0 1.0 NA A:HEC502 2.1 42.9 1.0 ND A:HEC502 2.1 37.8 1.0 CE1 A:HIS256 2.9 43.0 1.0 CE1 A:HIS246 2.9 36.4 1.0 CD2 A:HIS246 2.9 35.9 1.0 CD2 A:HIS256 3.0 44.4 1.0 C4B A:HEC502 3.1 39.7 1.0 C1B A:HEC502 3.1 39.0 1.0 C4C A:HEC502 3.1 40.8 1.0 C1C A:HEC502 3.1 39.0 1.0 C4A A:HEC502 3.1 43.3 1.0 C1A A:HEC502 3.1 41.9 1.0 C1D A:HEC502 3.2 38.7 1.0 C4D A:HEC502 3.2 38.2 1.0 CHB A:HEC502 3.4 41.3 1.0 CHC A:HEC502 3.4 38.9 1.0 CHD A:HEC502 3.5 42.3 1.0 CHA A:HEC502 3.5 38.1 1.0 ND1 A:HIS246 4.0 37.1 1.0 ND1 A:HIS256 4.0 44.1 1.0 CG A:HIS246 4.1 39.7 1.0 CG A:HIS256 4.1 44.6 1.0 C3B A:HEC502 4.4 41.1 1.0 C2B A:HEC502 4.4 40.6 1.0 C3C A:HEC502 4.4 38.8 1.0 C2C A:HEC502 4.4 37.7 1.0 C2A A:HEC502 4.5 43.9 1.0 C3A A:HEC502 4.5 45.7 1.0 C2D A:HEC502 4.5 37.8 1.0 C3D A:HEC502 4.5 37.9 1.0 NH1 A:ARG249 4.8 39.7 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Mamp in Complex with Iron(II)


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 Mamp in Complex with Iron(II) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:42.5 occ:0.98 FE B:HEC501 0.0 42.5 1.0 NA B:HEC501 2.1 40.7 1.0 NB B:HEC501 2.1 39.5 1.0 NC B:HEC501 2.1 37.3 1.0 NE2 B:HIS216 2.1 41.0 1.0 ND B:HEC501 2.1 40.1 1.0 NE2 B:HIS206 2.2 37.3 1.0 CE1 B:HIS206 3.0 39.0 1.0 CD2 B:HIS216 3.0 41.2 1.0 C1A B:HEC501 3.1 45.7 1.0 C4B B:HEC501 3.1 39.6 1.0 C4C B:HEC501 3.1 36.3 1.0 C1C B:HEC501 3.1 37.5 1.0 CE1 B:HIS216 3.1 44.7 1.0 C4A B:HEC501 3.1 40.8 1.0 C1B B:HEC501 3.1 39.8 1.0 C1D B:HEC501 3.1 37.9 1.0 C4D B:HEC501 3.1 42.5 1.0 CD2 B:HIS206 3.3 39.8 1.0 CHA B:HEC501 3.4 41.9 1.0 CHC B:HEC501 3.4 39.8 1.0 CHD B:HEC501 3.4 38.9 1.0 CHB B:HEC501 3.5 40.4 1.0 ND1 B:HIS206 4.2 39.3 1.0 ND1 B:HIS216 4.2 43.1 1.0 CG B:HIS216 4.2 42.6 1.0 CG B:HIS206 4.4 41.3 1.0 C3B B:HEC501 4.4 36.6 1.0 C3C B:HEC501 4.4 35.9 1.0 C2A B:HEC501 4.4 47.8 1.0 C2C B:HEC501 4.4 36.4 1.0 C3A B:HEC501 4.4 43.7 1.0 C2B B:HEC501 4.4 37.7 1.0 C2D B:HEC501 4.5 36.5 1.0 C3D B:HEC501 4.5 40.0 1.0 NH1 B:ARG209 5.0 32.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Mamp in Complex with Iron(II)


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 Mamp in Complex with Iron(II) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:34.8 occ:0.99 FE B:HEC502 0.0 34.8 1.0 NE2 B:HIS246 1.9 37.1 1.0 NB B:HEC502 2.1 36.4 1.0 NC B:HEC502 2.1 36.5 1.0 NA B:HEC502 2.1 38.7 1.0 ND B:HEC502 2.1 36.5 1.0 NE2 B:HIS256 2.1 41.3 1.0 CE1 B:HIS246 2.7 39.0 1.0 CD2 B:HIS246 3.0 37.6 1.0 C1B B:HEC502 3.1 38.0 1.0 C4B B:HEC502 3.1 36.9 1.0 CE1 B:HIS256 3.1 41.0 1.0 C4C B:HEC502 3.1 37.1 1.0 C4A B:HEC502 3.1 39.8 1.0 CD2 B:HIS256 3.1 39.6 1.0 C1C B:HEC502 3.1 35.9 1.0 C1D B:HEC502 3.1 36.9 1.0 C1A B:HEC502 3.1 38.5 1.0 C4D B:HEC502 3.2 36.1 1.0 CHB B:HEC502 3.4 40.0 1.0 CHC B:HEC502 3.4 37.0 1.0 CHD B:HEC502 3.5 38.1 1.0 CHA B:HEC502 3.5 34.7 1.0 ND1 B:HIS246 3.9 38.7 1.0 CG B:HIS246 4.1 40.3 1.0 ND1 B:HIS256 4.2 37.8 1.0 CG B:HIS256 4.3 38.7 1.0 C3B B:HEC502 4.4 37.9 1.0 C2B B:HEC502 4.4 38.6 1.0 C3C B:HEC502 4.4 34.3 1.0 C3A B:HEC502 4.5 38.8 1.0 C2A B:HEC502 4.5 39.7 1.0 C2C B:HEC502 4.5 34.4 1.0 C2D B:HEC502 4.5 34.8 1.0 C3D B:HEC502 4.5 35.1 1.0

M.I.Siponen, P.Legrand, M.Widdrat, S.R.Jones, W.J.Zhang, M.C.Chang, D.Faivre, P.Arnoux, D.Pignol. Structural Insight Into Magnetochrome-Mediated Magnetite Biomineralization. Nature V. 502 681 2013.
ISSN: ISSN 0028-0836
PubMed: 24097349
DOI: 10.1038/NATURE12573