Iron in PDB 4nk1: Crystal Structure of Phosphate-Bound Hell'S Gate Globin IV

The structure of Crystal Structure of Phosphate-Bound Hell'S Gate Globin IV, PDB code: 4nk1 was solved by F.Jamil, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.96 / 2.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.258, 84.485, 92.991, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 24.2

The binding sites of Iron atom in the Crystal Structure of Phosphate-Bound Hell'S Gate Globin IV (pdb code 4nk1). 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 Phosphate-Bound Hell'S Gate Globin IV, PDB code: 4nk1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Phosphate-Bound 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 Phosphate-Bound Hell'S Gate Globin IV within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:35.5 occ:1.00 FE A:HEM201 0.0 35.5 1.0 NA A:HEM201 2.0 35.5 1.0 ND A:HEM201 2.0 34.9 1.0 NC A:HEM201 2.1 32.1 1.0 NB A:HEM201 2.1 33.1 1.0 O4 A:PO4202 2.3 37.9 1.0 NE2 A:HIS124 2.3 29.6 1.0 C1A A:HEM201 3.0 34.6 1.0 C4D A:HEM201 3.0 32.1 1.0 C1D A:HEM201 3.1 35.8 1.0 C4A A:HEM201 3.1 38.4 1.0 C4C A:HEM201 3.1 34.5 1.0 C1B A:HEM201 3.1 38.5 1.0 CD2 A:HIS124 3.1 26.5 1.0 C1C A:HEM201 3.1 35.1 1.0 C4B A:HEM201 3.2 36.8 1.0 CE1 A:HIS124 3.3 34.6 1.0 CHA A:HEM201 3.4 37.3 1.0 P A:PO4202 3.4 43.8 1.0 CHD A:HEM201 3.4 31.1 1.0 CHB A:HEM201 3.4 33.9 1.0 O3 A:PO4202 3.5 41.8 1.0 CHC A:HEM201 3.5 34.7 1.0 O1 A:PO4202 4.1 33.2 1.0 C2A A:HEM201 4.2 40.1 1.0 C3A A:HEM201 4.3 38.7 1.0 C3D A:HEM201 4.3 36.5 1.0 C2D A:HEM201 4.3 37.0 1.0 C3C A:HEM201 4.3 34.5 1.0 CG A:HIS124 4.3 34.5 1.0 C2C A:HEM201 4.3 35.3 1.0 C2B A:HEM201 4.4 35.3 1.0 C3B A:HEM201 4.4 34.0 1.0 ND1 A:HIS124 4.4 34.1 1.0 NE1 A:TRP137 4.4 32.9 1.0 O2 A:PO4202 4.6 47.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Phosphate-Bound 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 Phosphate-Bound Hell'S Gate Globin IV within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:41.9 occ:1.00 FE B:HEM201 0.0 41.9 1.0 ND B:HEM201 2.0 42.9 1.0 NC B:HEM201 2.1 36.3 1.0 NA B:HEM201 2.1 40.9 1.0 O2 B:PO4202 2.1 42.4 1.0 NB B:HEM201 2.1 36.7 1.0 NE2 B:HIS124 2.3 41.7 1.0 C1D B:HEM201 3.0 38.7 1.0 C4C B:HEM201 3.0 40.7 1.0 C4D B:HEM201 3.0 40.6 1.0 C1A B:HEM201 3.1 42.6 1.0 C4A B:HEM201 3.1 41.3 1.0 C1C B:HEM201 3.1 37.4 1.0 C1B B:HEM201 3.1 35.9 1.0 C4B B:HEM201 3.2 33.7 1.0 CE1 B:HIS124 3.2 38.4 1.0 CD2 B:HIS124 3.3 40.7 1.0 P B:PO4202 3.3 50.9 1.0 CHD B:HEM201 3.4 38.8 1.0 CHA B:HEM201 3.4 43.0 1.0 CHB B:HEM201 3.4 38.3 1.0 CHC B:HEM201 3.5 38.3 1.0 O4 B:PO4202 3.6 46.8 1.0 O1 B:PO4202 4.0 52.2 1.0 C2D B:HEM201 4.3 45.4 1.0 C3C B:HEM201 4.3 40.5 1.0 C3D B:HEM201 4.3 44.7 1.0 C3A B:HEM201 4.3 44.9 1.0 C2A B:HEM201 4.3 46.8 1.0 C2C B:HEM201 4.3 37.1 1.0 ND1 B:HIS124 4.4 39.9 1.0 C2B B:HEM201 4.4 31.1 1.0 C3B B:HEM201 4.4 36.7 1.0 NE1 B:TRP137 4.4 36.3 1.0 CG B:HIS124 4.4 45.5 1.0 O3 B:PO4202 4.5 49.3 1.0 CZ2 B:TRP137 4.9 38.9 1.0 CE2 B:TRP137 4.9 33.7 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