Iron in PDB 1t1n: Crystal Structure of Carbonmonoxy Hemoglobin

The structure of Crystal Structure of Carbonmonoxy Hemoglobin, PDB code: 1t1n was solved by L.Mazzarella, L.Vitagliano, C.Savino, A.Zagari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.00 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.170, 88.060, 55.250, 90.00, 97.65, 90.00
R / Rfree (%)	19.2 / n/a

The binding sites of Iron atom in the Crystal Structure of Carbonmonoxy Hemoglobin (pdb code 1t1n). 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 Carbonmonoxy Hemoglobin, PDB code: 1t1n:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Carbonmonoxy Hemoglobin


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 Carbonmonoxy Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:29.0 occ:1.00 FE A:HEM143 0.0 29.0 1.0 C A:CMO144 1.7 28.6 1.0 ND A:HEM143 2.0 29.9 1.0 NC A:HEM143 2.0 29.7 1.0 NB A:HEM143 2.0 29.0 1.0 NA A:HEM143 2.0 29.9 1.0 NE2 A:HIS88 2.1 29.4 1.0 O A:CMO144 2.9 29.6 1.0 C4C A:HEM143 3.0 29.7 1.0 C1D A:HEM143 3.0 29.8 1.0 C4B A:HEM143 3.0 29.0 1.0 C1C A:HEM143 3.0 29.7 1.0 C1B A:HEM143 3.1 29.9 1.0 C4D A:HEM143 3.1 30.1 1.0 C1A A:HEM143 3.1 30.2 1.0 C4A A:HEM143 3.1 29.9 1.0 CE1 A:HIS88 3.1 29.5 1.0 CD2 A:HIS88 3.1 29.9 1.0 CHD A:HEM143 3.4 29.1 1.0 CHC A:HEM143 3.4 29.1 1.0 CHA A:HEM143 3.4 30.1 1.0 CHB A:HEM143 3.5 29.3 1.0 ND1 A:HIS88 4.2 30.0 1.0 C2D A:HEM143 4.3 30.0 1.0 C3D A:HEM143 4.3 30.3 1.0 C3C A:HEM143 4.3 29.3 1.0 C2C A:HEM143 4.3 29.6 1.0 C2B A:HEM143 4.3 29.0 1.0 C3B A:HEM143 4.3 29.0 1.0 CG A:HIS88 4.3 30.6 1.0 C2A A:HEM143 4.3 30.6 1.0 C3A A:HEM143 4.3 30.2 1.0 NE2 A:HIS59 4.4 29.6 1.0 CG2 A:VAL63 4.7 27.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Carbonmonoxy Hemoglobin


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 Carbonmonoxy Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:41.0 occ:1.00 FE B:HEM147 0.0 41.0 1.0 C B:CMO148 1.8 40.0 1.0 ND B:HEM147 2.0 41.7 1.0 NB B:HEM147 2.0 40.9 1.0 NA B:HEM147 2.0 41.5 1.0 NC B:HEM147 2.0 41.3 1.0 NE2 B:HIS92 2.1 41.2 1.0 O B:CMO148 2.8 39.6 1.0 CE1 B:HIS92 3.0 41.2 1.0 C4D B:HEM147 3.0 41.9 1.0 C1D B:HEM147 3.0 41.9 1.0 C4A B:HEM147 3.0 41.5 1.0 C1B B:HEM147 3.0 40.6 1.0 C4B B:HEM147 3.1 40.6 1.0 C4C B:HEM147 3.1 41.4 1.0 C1C B:HEM147 3.1 41.2 1.0 C1A B:HEM147 3.1 41.7 1.0 CD2 B:HIS92 3.2 41.3 1.0 CHA B:HEM147 3.4 41.8 1.0 CHD B:HEM147 3.4 41.5 1.0 CHC B:HEM147 3.4 41.0 1.0 CHB B:HEM147 3.4 41.0 1.0 ND1 B:HIS92 4.1 41.4 1.0 C3D B:HEM147 4.2 42.3 1.0 C2D B:HEM147 4.2 42.1 1.0 CG B:HIS92 4.3 41.5 1.0 C3A B:HEM147 4.3 41.6 1.0 C2B B:HEM147 4.3 40.7 1.0 C3B B:HEM147 4.3 40.5 1.0 C2A B:HEM147 4.3 41.9 1.0 C3C B:HEM147 4.3 41.3 1.0 C2C B:HEM147 4.3 41.2 1.0 NE2 B:HIS63 4.4 35.5 1.0 CG2 B:VAL67 4.6 29.2 1.0

L.Mazzarella, R.D'avino, G.Di Prisco, C.Savino, L.Vitagliano, P.C.E.Moody, A.Zagari. Crystal Structure of Trematomus Newnesi Haemoglobin Re-Opens the Root Effect Question. J.Mol.Biol. V. 287 897 1999.
ISSN: ISSN 0022-2836
PubMed: 10222199
DOI: 10.1006/JMBI.1999.2632