Iron in PDB 4nk2: Crystal Structure of Hell'S Gate Globin IV

The structure of Crystal Structure of Hell'S Gate Globin IV, PDB code: 4nk2 was solved by F.Jamil, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.11 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.217, 83.427, 94.024, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 25

The binding sites of Iron atom in the Crystal Structure of Hell'S Gate Globin IV (pdb code 4nk2). 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 Hell'S Gate Globin IV, PDB code: 4nk2:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Hell'S Gate Globin IV


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 Hell'S Gate Globin IV within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:30.9 occ:1.00 FE A:HEM700 0.0 30.9 1.0 NE2 A:HIS124 2.0 29.9 1.0 NC A:HEM700 2.0 31.5 1.0 NB A:HEM700 2.1 28.0 1.0 NA A:HEM700 2.1 31.2 1.0 ND A:HEM700 2.1 31.1 1.0 CE1 A:HIS124 2.9 32.6 1.0 C4C A:HEM700 3.0 31.6 1.0 CD2 A:HIS124 3.0 26.9 1.0 C4A A:HEM700 3.1 33.8 1.0 C1B A:HEM700 3.1 33.9 1.0 C1C A:HEM700 3.1 28.0 1.0 C1D A:HEM700 3.1 30.5 1.0 C4B A:HEM700 3.1 31.8 1.0 C4D A:HEM700 3.1 33.4 1.0 C1A A:HEM700 3.1 35.8 1.0 CHD A:HEM700 3.4 32.0 1.0 CHB A:HEM700 3.4 31.6 1.0 CHC A:HEM700 3.4 29.1 1.0 CHA A:HEM700 3.5 33.6 1.0 ND1 A:HIS124 4.0 29.7 1.0 CG A:HIS124 4.1 31.9 1.0 C3C A:HEM700 4.2 32.9 1.0 C2C A:HEM700 4.3 30.4 1.0 C2B A:HEM700 4.3 31.1 1.0 C3A A:HEM700 4.3 34.8 1.0 C3B A:HEM700 4.3 32.5 1.0 C2D A:HEM700 4.3 29.5 1.0 C3D A:HEM700 4.3 33.4 1.0 C2A A:HEM700 4.3 31.4 1.0 NE1 A:TRP137 4.4 27.2 1.0 O A:HOH919 4.5 35.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Hell'S Gate Globin IV


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 Hell'S Gate Globin IV within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe700 b:39.0 occ:1.00 FE B:HEM700 0.0 39.0 1.0 NE2 B:HIS124 2.0 35.2 1.0 NA B:HEM700 2.1 33.9 1.0 NB B:HEM700 2.1 30.4 1.0 NC B:HEM700 2.1 34.7 1.0 ND B:HEM700 2.1 42.2 1.0 CD2 B:HIS124 3.0 35.2 1.0 C4C B:HEM700 3.1 36.3 1.0 C4A B:HEM700 3.1 36.9 1.0 C4B B:HEM700 3.1 33.8 1.0 C1B B:HEM700 3.1 31.7 1.0 C1A B:HEM700 3.1 45.3 1.0 C4D B:HEM700 3.1 45.0 1.0 CE1 B:HIS124 3.1 39.0 1.0 C1C B:HEM700 3.1 32.5 1.0 C1D B:HEM700 3.1 45.1 1.0 CHB B:HEM700 3.4 37.3 1.0 CHA B:HEM700 3.4 46.0 1.0 CHC B:HEM700 3.4 34.1 1.0 CHD B:HEM700 3.4 38.6 1.0 CG B:HIS124 4.1 36.6 1.0 ND1 B:HIS124 4.2 33.0 1.0 C3C B:HEM700 4.3 36.1 1.0 C3B B:HEM700 4.4 31.9 1.0 C3A B:HEM700 4.4 41.5 1.0 C2A B:HEM700 4.4 44.1 1.0 C2C B:HEM700 4.4 30.3 1.0 C2B B:HEM700 4.4 29.3 1.0 C3D B:HEM700 4.4 44.9 1.0 C2D B:HEM700 4.4 45.8 1.0 NE1 B:TRP137 4.5 31.2 1.0

F.Jamil, A.H.Teh, E.Schadich, J.A.Saito, N.Najimudin, M.Alam. Crystal Structure of Truncated Haemoglobin From An Extremely Thermophilic and Acidophilic Bacterium. J.Biochem. V. 156 97 2014.
ISSN: ISSN 0021-924X
PubMed: 24733432
DOI: 10.1093/JB/MVU023