Iron in PDB 1nxf: Ligand-Linked Transitions of Deoxyhbi Crystals Exposed to Co.

The structure of Ligand-Linked Transitions of Deoxyhbi Crystals Exposed to Co., PDB code: 1nxf was solved by J.E.Knapp, W.E.Royer Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.90 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	92.040, 44.280, 144.030, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 21

The binding sites of Iron atom in the Ligand-Linked Transitions of Deoxyhbi Crystals Exposed to Co. (pdb code 1nxf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ligand-Linked Transitions of Deoxyhbi Crystals Exposed to Co., PDB code: 1nxf:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ligand-Linked Transitions of Deoxyhbi Crystals Exposed to Co.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ligand-Linked Transitions of Deoxyhbi Crystals Exposed to Co. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe147 b:24.4 occ:1.00 FE A:HEM147 0.0 24.4 1.0 C A:CMO148 1.9 23.1 1.0 NB A:HEM147 2.0 23.6 1.0 NC A:HEM147 2.0 23.5 1.0 ND A:HEM147 2.0 23.9 1.0 NA A:HEM147 2.0 26.3 1.0 NE2 A:HIS101 2.1 27.1 1.0 C1B A:HEM147 3.0 27.2 1.0 C1D A:HEM147 3.1 25.0 1.0 C1C A:HEM147 3.1 23.7 1.0 C4C A:HEM147 3.1 25.0 1.0 C4B A:HEM147 3.1 23.7 1.0 C4A A:HEM147 3.1 26.9 1.0 CE1 A:HIS101 3.1 25.4 1.0 O A:CMO148 3.1 27.4 1.0 C4D A:HEM147 3.1 23.9 1.0 CD2 A:HIS101 3.1 24.2 1.0 C1A A:HEM147 3.1 26.3 1.0 CHB A:HEM147 3.4 26.4 1.0 CHD A:HEM147 3.4 23.6 1.0 CHC A:HEM147 3.4 23.3 1.0 CHA A:HEM147 3.5 25.6 1.0 ND1 A:HIS101 4.2 24.5 1.0 CG A:HIS101 4.3 26.1 1.0 C2B A:HEM147 4.3 25.7 1.0 C2C A:HEM147 4.3 24.0 1.0 C2D A:HEM147 4.3 27.7 1.0 C3B A:HEM147 4.3 23.9 1.0 C3C A:HEM147 4.3 25.7 1.0 C3A A:HEM147 4.3 26.5 1.0 C3D A:HEM147 4.3 26.5 1.0 C2A A:HEM147 4.3 26.1 1.0 CE1 A:HIS69 4.8 23.4 1.0

Iron binding site 2 out of 2 in the Ligand-Linked Transitions of Deoxyhbi Crystals Exposed to Co.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ligand-Linked Transitions of Deoxyhbi Crystals Exposed to Co. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:24.7 occ:1.00 FE B:HEM147 0.0 24.7 1.0 C B:CMO148 1.9 20.3 1.0 NC B:HEM147 2.0 24.0 1.0 NA B:HEM147 2.0 22.4 1.0 ND B:HEM147 2.0 23.5 1.0 NB B:HEM147 2.0 20.8 1.0 NE2 B:HIS101 2.1 24.9 1.0 CE1 B:HIS101 3.0 29.8 1.0 C1C B:HEM147 3.0 21.8 1.0 C4C B:HEM147 3.1 22.4 1.0 C4B B:HEM147 3.1 21.4 1.0 C1B B:HEM147 3.1 25.0 1.0 C4A B:HEM147 3.1 23.5 1.0 C4D B:HEM147 3.1 22.4 1.0 C1A B:HEM147 3.1 22.3 1.0 C1D B:HEM147 3.1 27.4 1.0 O B:CMO148 3.1 27.6 1.0 CD2 B:HIS101 3.2 25.8 1.0 CHC B:HEM147 3.4 20.2 1.0 CHD B:HEM147 3.4 24.4 1.0 CHB B:HEM147 3.4 23.3 1.0 CHA B:HEM147 3.5 22.1 1.0 ND1 B:HIS101 4.2 28.1 1.0 C2C B:HEM147 4.3 21.5 1.0 CG B:HIS101 4.3 30.4 1.0 C3C B:HEM147 4.3 24.0 1.0 C3A B:HEM147 4.3 22.6 1.0 C2B B:HEM147 4.3 25.1 1.0 C2A B:HEM147 4.3 22.6 1.0 C2D B:HEM147 4.3 28.0 1.0 C3B B:HEM147 4.3 22.2 1.0 C3D B:HEM147 4.3 26.5 1.0 CE1 B:HIS69 4.7 23.6 1.0 CZ B:PHE97 4.8 30.4 0.5 NE2 B:HIS69 4.9 18.3 1.0 CE1 B:PHE111 5.0 25.4 1.0

J.E.Knapp, W.E.Royer Jr.. Ligand-Linked Structural Transitions in Crystals of A Cooperative Dimeric Hemoglobin. Biochemistry V. 42 4640 2003.
ISSN: ISSN 0006-2960
PubMed: 12705827
DOI: 10.1021/BI027136P