Iron in PDB 4esa: X-Ray Structure of Carbonmonoxy Hemoglobin of Eleginops Maclovinus

The structure of X-Ray Structure of Carbonmonoxy Hemoglobin of Eleginops Maclovinus, PDB code: 4esa was solved by A.Merlino, L.Vitagliano, L.Mazzarella, A.Vergara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.175, 88.075, 123.194, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 25.3

The binding sites of Iron atom in the X-Ray Structure of Carbonmonoxy Hemoglobin of Eleginops Maclovinus (pdb code 4esa). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the X-Ray Structure of Carbonmonoxy Hemoglobin of Eleginops Maclovinus, PDB code: 4esa:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the X-Ray Structure of Carbonmonoxy Hemoglobin of Eleginops Maclovinus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of Carbonmonoxy Hemoglobin of Eleginops Maclovinus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:14.1 occ:1.00 FE A:HEM202 0.0 14.1 1.0 C A:CMO201 1.7 12.2 1.0 NA A:HEM202 2.0 12.5 1.0 NC A:HEM202 2.0 11.6 1.0 ND A:HEM202 2.0 12.4 1.0 NB A:HEM202 2.0 13.4 1.0 NE2 A:HIS88 2.1 11.4 1.0 O A:CMO201 2.8 15.7 1.0 C1A A:HEM202 3.0 12.1 1.0 C4A A:HEM202 3.0 15.4 1.0 C1C A:HEM202 3.0 10.4 1.0 C4C A:HEM202 3.0 13.2 1.0 C1B A:HEM202 3.1 13.7 1.0 C1D A:HEM202 3.1 13.0 1.0 C4D A:HEM202 3.1 15.2 1.0 CE1 A:HIS88 3.1 13.1 1.0 C4B A:HEM202 3.1 11.2 1.0 CD2 A:HIS88 3.1 10.7 1.0 CHA A:HEM202 3.4 14.4 1.0 CHB A:HEM202 3.4 11.7 1.0 CHC A:HEM202 3.4 12.4 1.0 CHD A:HEM202 3.4 10.9 1.0 ND1 A:HIS88 4.2 15.5 1.0 C2A A:HEM202 4.2 13.8 1.0 C3A A:HEM202 4.2 15.6 1.0 C2C A:HEM202 4.3 10.0 1.0 CG A:HIS88 4.3 13.0 1.0 C3D A:HEM202 4.3 12.3 1.0 C3C A:HEM202 4.3 12.7 1.0 C2D A:HEM202 4.3 12.6 1.0 C2B A:HEM202 4.3 11.1 1.0 C3B A:HEM202 4.3 10.9 1.0 NE2 A:HIS59 4.4 15.3 1.0 CG2 A:VAL63 4.7 13.4 1.0

Iron binding site 2 out of 4 in the X-Ray Structure of Carbonmonoxy Hemoglobin of Eleginops Maclovinus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of Carbonmonoxy Hemoglobin of Eleginops Maclovinus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:20.9 occ:1.00 FE B:HEM202 0.0 20.9 1.0 NB B:HEM202 2.0 18.1 1.0 NA B:HEM202 2.0 19.7 1.0 NC B:HEM202 2.0 16.4 1.0 C B:CMO201 2.0 16.3 1.0 ND B:HEM202 2.0 20.6 1.0 NE2 B:HIS92 2.2 21.8 1.0 C4A B:HEM202 3.0 21.4 1.0 C1B B:HEM202 3.0 17.0 1.0 C4C B:HEM202 3.0 18.4 1.0 C1C B:HEM202 3.0 16.6 1.0 C4B B:HEM202 3.0 21.3 1.0 C1A B:HEM202 3.0 22.2 1.0 C4D B:HEM202 3.1 19.0 1.0 C1D B:HEM202 3.1 24.5 1.0 CE1 B:HIS92 3.1 22.4 1.0 CD2 B:HIS92 3.1 19.9 1.0 O B:CMO201 3.1 22.0 1.0 CHB B:HEM202 3.4 18.3 1.0 CHC B:HEM202 3.4 18.9 1.0 CHA B:HEM202 3.4 22.1 1.0 CHD B:HEM202 3.4 17.2 1.0 ND1 B:HIS92 4.2 23.1 1.0 C2B B:HEM202 4.2 19.3 1.0 C2C B:HEM202 4.3 15.6 1.0 C3A B:HEM202 4.3 27.4 1.0 C3C B:HEM202 4.3 16.4 1.0 C3B B:HEM202 4.3 19.3 1.0 C2A B:HEM202 4.3 24.0 1.0 CG B:HIS92 4.3 22.1 1.0 C3D B:HEM202 4.3 21.6 1.0 C2D B:HEM202 4.3 23.9 1.0 NE2 B:HIS63 4.4 21.3 1.0 CG2 B:VAL67 4.7 18.7 1.0

Iron binding site 3 out of 4 in the X-Ray Structure of Carbonmonoxy Hemoglobin of Eleginops Maclovinus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of X-Ray Structure of Carbonmonoxy Hemoglobin of Eleginops Maclovinus within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe202 b:15.3 occ:1.00 FE C:HEM202 0.0 15.3 1.0 C C:CMO201 1.7 14.9 1.0 NA C:HEM202 2.0 13.9 1.0 ND C:HEM202 2.0 13.0 1.0 NB C:HEM202 2.0 11.8 1.0 NC C:HEM202 2.0 11.5 1.0 NE2 C:HIS88 2.1 14.0 1.0 O C:CMO201 2.8 16.3 1.0 C1A C:HEM202 3.0 15.3 1.0 C4A C:HEM202 3.0 13.4 1.0 C4D C:HEM202 3.0 18.5 1.0 C1B C:HEM202 3.0 12.6 1.0 C1D C:HEM202 3.0 13.1 1.0 C4C C:HEM202 3.1 12.8 1.0 C1C C:HEM202 3.1 13.9 1.0 CE1 C:HIS88 3.1 17.0 1.0 C4B C:HEM202 3.1 11.5 1.0 CD2 C:HIS88 3.1 13.3 1.0 CHA C:HEM202 3.4 16.8 1.0 CHB C:HEM202 3.4 15.0 1.0 CHD C:HEM202 3.4 17.1 1.0 CHC C:HEM202 3.4 14.6 1.0 ND1 C:HIS88 4.2 15.8 1.0 C3A C:HEM202 4.2 11.6 1.0 C2A C:HEM202 4.2 14.3 1.0 C3D C:HEM202 4.3 16.5 1.0 C2D C:HEM202 4.3 15.1 1.0 C2B C:HEM202 4.3 15.5 1.0 CG C:HIS88 4.3 10.3 1.0 C2C C:HEM202 4.3 12.1 1.0 C3B C:HEM202 4.3 14.2 1.0 C3C C:HEM202 4.3 13.2 1.0 NE2 C:HIS59 4.3 20.1 1.0 CG2 C:VAL63 4.9 15.8 1.0

Iron binding site 4 out of 4 in the X-Ray Structure of Carbonmonoxy Hemoglobin of Eleginops Maclovinus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of X-Ray Structure of Carbonmonoxy Hemoglobin of Eleginops Maclovinus within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe202 b:13.3 occ:1.00 FE D:HEM202 0.0 13.3 1.0 C D:CMO201 1.9 12.6 1.0 NA D:HEM202 2.0 10.2 1.0 ND D:HEM202 2.0 12.4 1.0 NB D:HEM202 2.0 10.6 1.0 NC D:HEM202 2.0 10.9 1.0 NE2 D:HIS92 2.1 10.1 1.0 C1A D:HEM202 3.0 13.2 1.0 CE1 D:HIS92 3.0 14.1 1.0 C4A D:HEM202 3.0 11.2 1.0 O D:CMO201 3.0 14.2 1.0 C1B D:HEM202 3.0 12.0 1.0 C4B D:HEM202 3.0 11.7 1.0 C4C D:HEM202 3.0 12.6 1.0 C1C D:HEM202 3.0 12.1 1.0 C4D D:HEM202 3.0 12.3 1.0 C1D D:HEM202 3.1 11.9 1.0 CD2 D:HIS92 3.1 10.6 1.0 CHA D:HEM202 3.4 11.1 1.0 CHD D:HEM202 3.4 11.0 1.0 CHB D:HEM202 3.4 9.6 1.0 CHC D:HEM202 3.4 12.5 1.0 ND1 D:HIS92 4.1 13.5 1.0 CG D:HIS92 4.2 12.9 1.0 C2A D:HEM202 4.2 12.9 1.0 C3A D:HEM202 4.2 11.9 1.0 C3D D:HEM202 4.3 17.2 1.0 C2D D:HEM202 4.3 17.2 1.0 C2B D:HEM202 4.3 16.1 1.0 C3C D:HEM202 4.3 13.2 1.0 C3B D:HEM202 4.3 13.0 1.0 C2C D:HEM202 4.3 10.1 1.0 NE2 D:HIS63 4.5 16.1 1.0 CG2 D:VAL67 4.9 12.9 1.0

D.Coppola, S.Abbruzzetti, F.Nicoletti, A.Merlino, A.Gambacurta, D.Giordano, B.D.Howes, G.De Sanctis, L.Vitagliano, S.Bruno, G.Di Prisco, L.Mazzarella, G.Smulevich, M.Coletta, C.Viappiani, A.Vergara, C.Verde. Atp Regulation of the Ligand-Binding Properties in Temperate and Cold-Adapted Haemoglobins. X-Ray Structure and Ligand-Binding Kinetics in the Sub-Antarctic Fish Eleginops Maclovinus. Mol Biosyst V. 8 3295 2012.
ISSN: ISSN 1742-206X
PubMed: 23086282
DOI: 10.1039/C2MB25210D