Iron in PDB 2peg: Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State

The structure of Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State, PDB code: 2peg was solved by A.Vergara, M.Franzese, A.Merlino, L.Vitagliano, L.Mazzarella, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.48
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.160, 87.740, 55.380, 90.00, 97.66, 90.00
R / Rfree (%)	19.9 / 23.4

The binding sites of Iron atom in the Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State (pdb code 2peg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State, PDB code: 2peg:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State


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 Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:14.6 occ:1.00 FE A:HEM200 0.0 14.6 1.0 NC A:HEM200 2.0 14.3 1.0 ND A:HEM200 2.0 15.3 1.0 NB A:HEM200 2.0 14.5 1.0 O A:HOH1072 2.0 15.2 1.0 NA A:HEM200 2.0 15.8 1.0 NE2 A:HIS88 2.1 14.9 1.0 CE1 A:HIS88 3.0 14.5 1.0 C1D A:HEM200 3.0 15.1 1.0 C4B A:HEM200 3.0 14.4 1.0 C1C A:HEM200 3.0 14.3 1.0 C4C A:HEM200 3.1 14.4 1.0 C4D A:HEM200 3.1 16.0 1.0 C1A A:HEM200 3.1 16.4 1.0 C1B A:HEM200 3.1 14.6 1.0 C4A A:HEM200 3.1 15.6 1.0 CD2 A:HIS88 3.2 14.5 1.0 CHC A:HEM200 3.4 14.4 1.0 CHD A:HEM200 3.4 15.0 1.0 CHB A:HEM200 3.5 15.0 1.0 CHA A:HEM200 3.5 16.2 1.0 ND1 A:HIS88 4.2 14.3 1.0 NE2 A:HIS59 4.2 15.6 1.0 CG A:HIS88 4.3 15.0 1.0 C2C A:HEM200 4.3 13.8 1.0 C3C A:HEM200 4.3 13.8 1.0 C3D A:HEM200 4.3 16.3 1.0 C2A A:HEM200 4.3 17.7 1.0 C3B A:HEM200 4.3 14.6 1.0 C2D A:HEM200 4.3 15.8 1.0 C2B A:HEM200 4.3 14.4 1.0 C3A A:HEM200 4.4 16.5 1.0 CE1 A:HIS59 4.6 15.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State


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 Trematomus Bernacchii Hemoglobin in A Partial Hemichrome State within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe400 b:17.4 occ:1.00 FE B:HEM400 0.0 17.4 1.0 NE2 B:HIS92 2.0 18.9 1.0 ND B:HEM400 2.0 19.0 1.0 NE2 B:HIS63 2.0 15.9 1.0 NB B:HEM400 2.0 18.1 1.0 NC B:HEM400 2.0 18.2 1.0 NA B:HEM400 2.1 18.8 1.0 CE1 B:HIS92 3.0 18.9 1.0 CE1 B:HIS63 3.0 15.8 1.0 C4B B:HEM400 3.0 17.9 1.0 C1D B:HEM400 3.0 19.2 1.0 C4C B:HEM400 3.1 18.2 1.0 CD2 B:HIS63 3.1 15.5 1.0 CD2 B:HIS92 3.1 19.1 1.0 C4D B:HEM400 3.1 19.7 1.0 C1B B:HEM400 3.1 18.0 1.0 C4A B:HEM400 3.1 18.8 1.0 C1C B:HEM400 3.1 17.9 1.0 C1A B:HEM400 3.1 19.5 1.0 CHD B:HEM400 3.4 18.8 1.0 CHC B:HEM400 3.4 17.7 1.0 CHB B:HEM400 3.5 18.4 1.0 CHA B:HEM400 3.5 19.4 1.0 ND1 B:HIS92 4.1 19.4 1.0 ND1 B:HIS63 4.1 15.8 1.0 CG B:HIS63 4.2 15.7 1.0 CG B:HIS92 4.2 19.6 1.0 C3B B:HEM400 4.3 18.2 1.0 C3D B:HEM400 4.3 20.2 1.0 C2D B:HEM400 4.3 19.8 1.0 C3C B:HEM400 4.3 18.2 1.0 C3A B:HEM400 4.3 19.6 1.0 C2A B:HEM400 4.3 20.3 1.0 C2B B:HEM400 4.4 18.1 1.0 C2C B:HEM400 4.4 18.2 1.0 CG2 B:VAL67 4.7 13.6 1.0

A.Vergara, M.Franzese, A.Merlino, L.Vitagliano, C.Verde, G.Di Prisco, H.C.Lee, J.Peisach, L.Mazzarella. Structural Characterization of Ferric Hemoglobins From Three Antarctic Fish Species of the Suborder Notothenioidei. Biophys.J. V. 93 2822 2007.
ISSN: ISSN 0006-3495
PubMed: 17545238
DOI: 10.1529/BIOPHYSJ.107.105700