Iron in PDB 2aa1: Crystal Structure of the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi

The structure of Crystal Structure of the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi, PDB code: 2aa1 was solved by L.Mazzarella, G.Bonomi, M.C.Lubrano, A.Merlino, A.Riccio, A.Vergara, L.Vitagliano, C.Verde, G.Di Prisco, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	58.097, 60.801, 61.232, 80.73, 81.36, 62.01
R / Rfree (%)	18.6 / 22

The binding sites of Iron atom in the Crystal Structure of the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi (pdb code 2aa1). 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 the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi, PDB code: 2aa1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi


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 the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:11.1 occ:1.00 FE A:HEM200 0.0 11.1 1.0 ND A:HEM200 2.0 11.6 1.0 NB A:HEM200 2.0 9.7 1.0 NA A:HEM200 2.0 11.8 1.0 NE2 A:HIS88 2.1 11.2 1.0 NC A:HEM200 2.1 10.4 1.0 CE1 A:HIS88 3.0 10.9 1.0 C4D A:HEM200 3.0 12.7 1.0 C4B A:HEM200 3.0 10.0 1.0 C1A A:HEM200 3.1 13.0 1.0 C1B A:HEM200 3.1 10.1 1.0 C1D A:HEM200 3.1 12.4 1.0 C4A A:HEM200 3.1 11.5 1.0 C1C A:HEM200 3.1 10.5 1.0 C4C A:HEM200 3.2 10.0 1.0 CD2 A:HIS88 3.3 10.8 1.0 CHA A:HEM200 3.4 12.6 1.0 CHC A:HEM200 3.4 9.6 1.0 CHB A:HEM200 3.4 10.6 1.0 CHD A:HEM200 3.5 11.3 1.0 NE2 A:HIS59 4.1 10.5 1.0 ND1 A:HIS88 4.2 10.6 1.0 CE1 A:HIS59 4.2 11.6 1.0 C3D A:HEM200 4.2 13.9 1.0 C3B A:HEM200 4.3 10.1 1.0 C2D A:HEM200 4.3 13.3 1.0 C2A A:HEM200 4.3 14.7 1.0 C2B A:HEM200 4.3 10.4 1.0 C3A A:HEM200 4.3 13.6 1.0 CG A:HIS88 4.4 10.9 1.0 C2C A:HEM200 4.4 10.2 1.0 C3C A:HEM200 4.4 10.1 1.0 CG2 A:VAL63 4.6 7.0 1.0 CD1 A:LEU92 4.6 14.9 1.0

Iron binding site 2 out of 4 in the Crystal Structure of the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi


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 the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe400 b:9.4 occ:1.00 FE B:HEM400 0.0 9.4 1.0 ND B:HEM400 2.0 10.2 1.0 NB B:HEM400 2.0 9.7 1.0 NA B:HEM400 2.0 10.5 1.0 NC B:HEM400 2.1 10.4 1.0 NE2 B:HIS92 2.2 9.7 1.0 C4D B:HEM400 3.0 11.8 1.0 C4B B:HEM400 3.0 10.7 1.0 C1A B:HEM400 3.0 11.5 1.0 CE1 B:HIS92 3.1 9.6 1.0 C1B B:HEM400 3.1 10.3 1.0 C1D B:HEM400 3.1 10.1 1.0 C4A B:HEM400 3.1 10.9 1.0 C1C B:HEM400 3.1 10.0 1.0 C4C B:HEM400 3.1 9.8 1.0 CD2 B:HIS92 3.3 9.6 1.0 CHA B:HEM400 3.4 12.4 1.0 CHC B:HEM400 3.4 10.6 1.0 CHB B:HEM400 3.5 9.7 1.0 CHD B:HEM400 3.5 9.8 1.0 NE2 B:HIS63 4.0 14.2 1.0 CG1 B:ILE67 4.2 8.2 1.0 CE1 B:HIS63 4.3 16.1 1.0 ND1 B:HIS92 4.3 9.5 1.0 C3D B:HEM400 4.3 12.2 1.0 C2A B:HEM400 4.3 13.0 1.0 C3B B:HEM400 4.3 11.2 1.0 C2D B:HEM400 4.3 11.3 1.0 C3A B:HEM400 4.3 11.9 1.0 C2B B:HEM400 4.3 10.5 1.0 C2C B:HEM400 4.4 10.5 1.0 CG B:HIS92 4.4 9.9 1.0 C3C B:HEM400 4.4 10.4 1.0 CD1 B:ILE67 4.5 8.6 1.0 CE1 B:PHE103 5.0 9.4 1.0

Iron binding site 3 out of 4 in the Crystal Structure of the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi


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 the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe600 b:10.9 occ:1.00 FE C:HEM600 0.0 10.9 1.0 ND C:HEM600 2.0 11.8 1.0 NC C:HEM600 2.0 10.7 1.0 NA C:HEM600 2.0 11.6 1.0 NB C:HEM600 2.1 9.7 1.0 NE2 C:HIS88 2.1 11.1 1.0 CE1 C:HIS88 3.0 10.9 1.0 C4D C:HEM600 3.0 12.6 1.0 C1D C:HEM600 3.0 12.5 1.0 C1A C:HEM600 3.1 13.0 1.0 C1C C:HEM600 3.1 10.4 1.0 C4C C:HEM600 3.1 10.1 1.0 C4B C:HEM600 3.1 9.8 1.0 C4A C:HEM600 3.1 11.5 1.0 C1B C:HEM600 3.1 9.9 1.0 CD2 C:HIS88 3.3 10.5 1.0 CHA C:HEM600 3.4 12.5 1.0 CHD C:HEM600 3.4 11.5 1.0 CHC C:HEM600 3.4 9.3 1.0 CHB C:HEM600 3.5 10.3 1.0 NE2 C:HIS59 4.1 11.7 1.0 CE1 C:HIS59 4.2 12.5 1.0 ND1 C:HIS88 4.2 9.9 1.0 C2D C:HEM600 4.3 13.1 1.0 C3D C:HEM600 4.3 14.1 1.0 C2A C:HEM600 4.3 14.9 1.0 C2C C:HEM600 4.3 9.9 1.0 C3C C:HEM600 4.3 9.9 1.0 C3A C:HEM600 4.3 13.5 1.0 C3B C:HEM600 4.4 9.9 1.0 CG C:HIS88 4.4 10.5 1.0 C2B C:HEM600 4.4 10.4 1.0 CG2 C:VAL63 4.5 8.6 1.0 CD1 C:LEU92 4.6 14.6 1.0

Iron binding site 4 out of 4 in the Crystal Structure of the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi


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 the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe800 b:9.6 occ:1.00 FE D:HEM800 0.0 9.6 1.0 NB D:HEM800 2.0 9.5 1.0 NC D:HEM800 2.0 10.0 1.0 ND D:HEM800 2.1 10.6 1.0 NA D:HEM800 2.1 10.8 1.0 NE2 D:HIS92 2.1 9.1 1.0 C4B D:HEM800 3.0 10.7 1.0 C1C D:HEM800 3.0 10.1 1.0 C1B D:HEM800 3.1 10.2 1.0 CE1 D:HIS92 3.1 9.6 1.0 C4C D:HEM800 3.1 9.6 1.0 C1A D:HEM800 3.1 11.5 1.0 C4D D:HEM800 3.1 12.0 1.0 C4A D:HEM800 3.1 10.6 1.0 C1D D:HEM800 3.1 10.1 1.0 CD2 D:HIS92 3.2 9.7 1.0 CHC D:HEM800 3.3 10.4 1.0 CHA D:HEM800 3.4 12.1 1.0 CHB D:HEM800 3.5 9.5 1.0 CHD D:HEM800 3.5 10.0 1.0 NE2 D:HIS63 4.1 16.5 1.0 CG1 D:ILE67 4.1 8.1 1.0 ND1 D:HIS92 4.2 9.5 1.0 C3B D:HEM800 4.3 11.3 1.0 C2C D:HEM800 4.3 10.4 1.0 C2B D:HEM800 4.3 10.8 1.0 CD1 D:ILE67 4.3 8.8 1.0 C3C D:HEM800 4.3 10.7 1.0 C2A D:HEM800 4.3 13.1 1.0 C3D D:HEM800 4.3 12.4 1.0 CG D:HIS92 4.3 9.2 1.0 CE1 D:HIS63 4.3 17.0 1.0 C3A D:HEM800 4.4 11.6 1.0 C2D D:HEM800 4.4 11.3 1.0 CE1 D:PHE103 5.0 9.1 1.0

L.Mazzarella, G.Bonomi, M.C.Lubrano, A.Merlino, A.Riccio, A.Vergara, L.Vitagliano, C.Verde, G.Di Prisco. Minimal Structural Requirements For Root Effect: Crystal Structure of the Cathodic Hemoglobin Isolated From the Antarctic Fish Trematomus Newnesi Proteins V. 62 316 2006.
ISSN: ISSN 0887-3585
PubMed: 16299734
DOI: 10.1002/PROT.20709