Iron in PDB 4odc: Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partially Cyanided State

The structure of Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partially Cyanided State, PDB code: 4odc was solved by L.Mazzarella, A.Merlino, L.Vitagliano, A.Vergara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.54
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.880, 87.880, 55.250, 90.00, 99.66, 90.00
R / Rfree (%)	16.5 / 19.7

The binding sites of Iron atom in the Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partially Cyanided State (pdb code 4odc). 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 Partially Cyanided State, PDB code: 4odc:
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 Partially Cyanided 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 Partially Cyanided State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:12.9 occ:1.00 FE A:HEM203 0.0 12.9 1.0 ND A:HEM203 2.0 12.3 1.0 C A:CYN202 2.0 18.2 0.5 O A:HOH201 2.0 13.6 0.4 NA A:HEM203 2.0 13.4 1.0 NB A:HEM203 2.0 11.5 1.0 NC A:HEM203 2.0 11.4 1.0 NE2 A:HIS89 2.1 12.3 1.0 C1D A:HEM203 3.0 13.1 1.0 CE1 A:HIS89 3.0 12.8 1.0 C4A A:HEM203 3.0 12.8 1.0 C4B A:HEM203 3.0 13.6 1.0 C4D A:HEM203 3.0 13.3 1.0 C4C A:HEM203 3.1 12.9 1.0 C1B A:HEM203 3.1 11.9 1.0 C1A A:HEM203 3.1 12.6 1.0 C1C A:HEM203 3.1 12.7 1.0 N A:CYN202 3.1 16.1 0.5 CD2 A:HIS89 3.1 12.2 1.0 CHD A:HEM203 3.4 13.3 1.0 CHA A:HEM203 3.4 12.7 1.0 CHB A:HEM203 3.4 12.8 1.0 CHC A:HEM203 3.4 12.2 1.0 ND1 A:HIS89 4.2 13.3 1.0 C2D A:HEM203 4.2 14.3 1.0 C3D A:HEM203 4.2 14.1 1.0 C2A A:HEM203 4.3 14.1 1.0 C3B A:HEM203 4.3 12.5 1.0 C3A A:HEM203 4.3 14.6 1.0 C2B A:HEM203 4.3 13.6 1.0 C2C A:HEM203 4.3 11.7 1.0 CG A:HIS89 4.3 11.1 1.0 C3C A:HEM203 4.3 13.5 1.0 NE2 A:HIS60 4.4 22.6 1.0 CG2 A:VAL64 4.8 18.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Trematomus Bernacchii Hemoglobin in A Partially Cyanided 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 Partially Cyanided State within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:21.2 occ:1.00 FE B:HEM202 0.0 21.2 1.0 NC B:HEM202 2.0 20.2 1.0 C B:CYN201 2.0 13.9 0.3 NA B:HEM202 2.0 21.4 1.0 NB B:HEM202 2.0 17.9 1.0 ND B:HEM202 2.0 19.8 1.0 NE2 B:HIS92 2.1 19.9 1.0 C1C B:HEM202 3.0 18.1 1.0 C4A B:HEM202 3.0 20.7 1.0 C4C B:HEM202 3.0 19.7 1.0 C1A B:HEM202 3.0 24.2 1.0 C4B B:HEM202 3.0 17.3 1.0 C1D B:HEM202 3.0 22.2 1.0 C1B B:HEM202 3.1 21.1 1.0 C4D B:HEM202 3.1 23.6 1.0 N B:CYN201 3.1 15.8 0.3 CE1 B:HIS92 3.1 20.4 1.0 CD2 B:HIS92 3.1 19.7 1.0 CHD B:HEM202 3.4 21.6 1.0 CHC B:HEM202 3.4 17.8 1.0 CHB B:HEM202 3.4 19.1 1.0 CHA B:HEM202 3.4 22.0 1.0 NE2 B:HIS63 3.9 29.6 0.7 ND1 B:HIS92 4.2 18.9 1.0 C2C B:HEM202 4.3 19.9 1.0 C2A B:HEM202 4.3 26.5 1.0 C3A B:HEM202 4.3 24.4 1.0 C3C B:HEM202 4.3 22.2 1.0 CG B:HIS92 4.3 16.5 1.0 C2D B:HEM202 4.3 21.8 1.0 C3B B:HEM202 4.3 18.3 1.0 C2B B:HEM202 4.3 20.2 1.0 C3D B:HEM202 4.3 25.2 1.0 CG2 B:VAL67 4.5 17.4 1.0 CD2 B:HIS63 4.7 23.9 0.7 CE1 B:HIS63 4.9 25.5 0.7

L.Mazzarella, A.Merlino, L.Vitagliano, C.Verde, G.Di Prisco, J.Peisach, A.Vergara. Structural Modifications Induced By the Switch From An Endogenous Bis-Histidyl to An Exogenous Cyanomet Hexa-Coordination in A Tetrameric Haemoglobin Rsc Adv V. 4 25852 2014.
ISSN: ESSN 2046-2069