Iron in PDB 2cn4: The Crystal Structure of the Secreted Dimeric Form of the Hemophore Hasa Reveals A Domain Swapping with An Exchanged Heme Ligand

The structure of The Crystal Structure of the Secreted Dimeric Form of the Hemophore Hasa Reveals A Domain Swapping with An Exchanged Heme Ligand, PDB code: 2cn4 was solved by M.Czjzek, S.Letoffe, C.Wandersman, M.Delepierre, A.Lecroisey, N.Izadi-Pruneyre, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.3
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.080, 62.320, 56.820, 90.00, 105.34, 90.00
R / Rfree (%)	16.9 / 22.4

The binding sites of Iron atom in the The Crystal Structure of the Secreted Dimeric Form of the Hemophore Hasa Reveals A Domain Swapping with An Exchanged Heme Ligand (pdb code 2cn4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Crystal Structure of the Secreted Dimeric Form of the Hemophore Hasa Reveals A Domain Swapping with An Exchanged Heme Ligand, PDB code: 2cn4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Crystal Structure of the Secreted Dimeric Form of the Hemophore Hasa Reveals A Domain Swapping with An Exchanged Heme Ligand


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of the Secreted Dimeric Form of the Hemophore Hasa Reveals A Domain Swapping with An Exchanged Heme Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1175 b:12.7 occ:1.00 FE A:HEM1175 0.0 12.7 1.0 OH A:TYR75 2.0 11.8 1.0 NB A:HEM1175 2.0 12.9 1.0 NC A:HEM1175 2.1 12.6 1.0 NA A:HEM1175 2.1 14.0 1.0 ND A:HEM1175 2.1 14.7 1.0 NE2 B:HIS32 2.1 16.9 1.0 CZ A:TYR75 3.0 9.7 1.0 C1B A:HEM1175 3.1 13.2 1.0 CE1 B:HIS32 3.1 17.2 1.0 C4C A:HEM1175 3.1 13.0 1.0 C4B A:HEM1175 3.1 14.4 1.0 C4A A:HEM1175 3.1 14.5 1.0 C1C A:HEM1175 3.1 13.2 1.0 C1D A:HEM1175 3.1 14.8 1.0 C1A A:HEM1175 3.1 15.1 1.0 C4D A:HEM1175 3.1 15.2 1.0 CD2 B:HIS32 3.1 16.2 1.0 CHB A:HEM1175 3.4 13.4 1.0 CHD A:HEM1175 3.4 13.8 1.0 CHC A:HEM1175 3.4 13.6 1.0 CHA A:HEM1175 3.5 13.9 1.0 CE1 A:TYR75 3.7 9.9 1.0 CE2 A:TYR75 3.8 10.8 1.0 ND1 A:HIS83 3.8 12.6 1.0 ND1 B:HIS32 4.2 16.3 1.0 CG B:HIS32 4.2 17.2 1.0 C2B A:HEM1175 4.3 13.6 1.0 C3B A:HEM1175 4.3 14.1 1.0 C3C A:HEM1175 4.3 13.6 1.0 C2C A:HEM1175 4.3 12.5 1.0 C3A A:HEM1175 4.3 15.0 1.0 C2A A:HEM1175 4.3 16.1 1.0 C2D A:HEM1175 4.3 16.2 1.0 C3D A:HEM1175 4.3 18.4 1.0 CG A:HIS83 4.6 12.7 1.0 CB A:HIS83 4.6 12.3 1.0 CE1 A:HIS83 4.6 12.3 1.0 CD1 A:TYR75 4.9 10.6 1.0 CD2 A:TYR75 5.0 11.0 1.0

Iron binding site 2 out of 2 in the The Crystal Structure of the Secreted Dimeric Form of the Hemophore Hasa Reveals A Domain Swapping with An Exchanged Heme Ligand


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of the Secreted Dimeric Form of the Hemophore Hasa Reveals A Domain Swapping with An Exchanged Heme Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1175 b:14.3 occ:1.00 FE B:HEM1175 0.0 14.3 1.0 NB B:HEM1175 2.0 14.6 1.0 NA B:HEM1175 2.0 16.7 1.0 OH B:TYR75 2.0 11.1 1.0 ND B:HEM1175 2.1 16.0 1.0 NC B:HEM1175 2.1 14.5 1.0 NE2 A:HIS32 2.2 16.7 1.0 CZ B:TYR75 2.9 9.6 1.0 C1B B:HEM1175 3.0 15.2 1.0 C4B B:HEM1175 3.0 15.3 1.0 C4D B:HEM1175 3.0 17.3 1.0 C4A B:HEM1175 3.1 17.1 1.0 C1A B:HEM1175 3.1 18.2 1.0 CD2 A:HIS32 3.1 16.6 1.0 C1C B:HEM1175 3.1 15.0 1.0 C1D B:HEM1175 3.1 16.6 1.0 C4C B:HEM1175 3.1 15.4 1.0 CE1 A:HIS32 3.2 16.6 1.0 CHB B:HEM1175 3.4 16.1 1.0 CHA B:HEM1175 3.4 17.1 1.0 CHC B:HEM1175 3.4 15.2 1.0 CHD B:HEM1175 3.5 16.8 1.0 CE2 B:TYR75 3.7 9.1 1.0 CE1 B:TYR75 3.7 10.1 1.0 ND1 B:HIS83 3.9 12.3 1.0 C3B B:HEM1175 4.2 15.0 1.0 C2B B:HEM1175 4.2 14.7 1.0 CG A:HIS32 4.3 16.7 1.0 ND1 A:HIS32 4.3 16.0 1.0 C3A B:HEM1175 4.3 19.1 1.0 C3D B:HEM1175 4.3 19.0 1.0 C2A B:HEM1175 4.3 20.2 1.0 C2C B:HEM1175 4.3 15.5 1.0 C3C B:HEM1175 4.3 16.1 1.0 C2D B:HEM1175 4.3 17.9 1.0 CG B:HIS83 4.6 12.7 1.0 CB B:HIS83 4.6 12.5 1.0 CE1 B:HIS83 4.7 12.0 1.0 CD2 B:TYR75 4.9 10.5 1.0 CD1 B:TYR75 4.9 10.8 1.0

M.Czjzek, S.Letoffe, C.Wandersman, M.Delepierre, A.Lecroisey, N.Izadi-Pruneyre. The Crystal Structure of the Secreted Dimeric Form of the Hemophore Hasa Reveals A Domain Swapping with An Exchanged Heme Ligand J.Mol.Biol. V. 365 1176 2007.
ISSN: ISSN 0022-2836
PubMed: 17113104
DOI: 10.1016/J.JMB.2006.10.063