Iron in PDB 3qqr: Crystal Structure of Parasponia Hemoglobin; Differential Heme Coordination Is Linked to Quaternary Structure

The structure of Crystal Structure of Parasponia Hemoglobin; Differential Heme Coordination Is Linked to Quaternary Structure, PDB code: 3qqr was solved by S.Kakar, R.Sturms, A.Savage, J.C.Nix, A.Dispirito, M.S.Hargrove, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.19 / 2.16
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.040, 72.040, 88.320, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 28.6

The binding sites of Iron atom in the Crystal Structure of Parasponia Hemoglobin; Differential Heme Coordination Is Linked to Quaternary Structure (pdb code 3qqr). 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 Parasponia Hemoglobin; Differential Heme Coordination Is Linked to Quaternary Structure, PDB code: 3qqr:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Parasponia Hemoglobin; Differential Heme Coordination Is Linked to Quaternary Structure


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 Parasponia Hemoglobin; Differential Heme Coordination Is Linked to Quaternary Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe163 b:39.1 occ:1.00 FE A:HEM163 0.0 39.1 1.0 NE2 A:HIS105 2.0 40.3 1.0 NE2 A:HIS70 2.0 39.6 1.0 NB A:HEM163 2.0 39.7 1.0 NC A:HEM163 2.1 40.8 1.0 NA A:HEM163 2.1 42.8 1.0 ND A:HEM163 2.1 44.0 1.0 CE1 A:HIS105 2.8 44.4 1.0 CE1 A:HIS70 2.9 39.8 1.0 C4B A:HEM163 3.0 37.8 1.0 C1C A:HEM163 3.0 38.8 1.0 C4D A:HEM163 3.0 45.4 1.0 C1A A:HEM163 3.0 45.8 1.0 CD2 A:HIS70 3.0 38.2 1.0 CD2 A:HIS105 3.1 43.2 1.0 C1B A:HEM163 3.1 39.5 1.0 C4C A:HEM163 3.1 42.0 1.0 C4A A:HEM163 3.2 42.4 1.0 C1D A:HEM163 3.2 44.7 1.0 CHC A:HEM163 3.3 37.1 1.0 CHA A:HEM163 3.3 44.8 1.0 CHD A:HEM163 3.5 42.8 1.0 CHB A:HEM163 3.5 40.3 1.0 ND1 A:HIS105 4.0 44.5 1.0 ND1 A:HIS70 4.0 38.1 1.0 CG A:HIS105 4.1 44.9 1.0 CG A:HIS70 4.1 38.0 1.0 C3B A:HEM163 4.2 35.3 1.0 C2C A:HEM163 4.3 39.7 1.0 C3D A:HEM163 4.3 47.3 1.0 C2A A:HEM163 4.3 47.6 1.0 C2B A:HEM163 4.3 37.8 1.0 C3C A:HEM163 4.3 39.4 1.0 C3A A:HEM163 4.3 44.9 1.0 C2D A:HEM163 4.4 45.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Parasponia Hemoglobin; Differential Heme Coordination Is Linked to Quaternary Structure


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 Parasponia Hemoglobin; Differential Heme Coordination Is Linked to Quaternary Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe163 b:25.4 occ:1.00 FE B:HEM163 0.0 25.4 1.0 NA B:HEM163 2.0 27.8 1.0 NB B:HEM163 2.0 24.7 1.0 NE2 B:HIS70 2.0 27.7 1.0 ND B:HEM163 2.0 26.4 1.0 NC B:HEM163 2.1 23.1 1.0 CE1 B:HIS105 2.2 34.3 1.0 NE2 B:HIS105 2.6 33.6 1.0 CD2 B:HIS70 2.9 25.6 1.0 C4D B:HEM163 2.9 28.6 1.0 C1A B:HEM163 2.9 28.1 1.0 C4B B:HEM163 3.0 23.2 1.0 C1B B:HEM163 3.0 24.3 1.0 CE1 B:HIS70 3.0 27.1 1.0 C4A B:HEM163 3.0 27.3 1.0 C1D B:HEM163 3.1 26.1 1.0 C1C B:HEM163 3.1 22.0 1.0 C4C B:HEM163 3.2 22.5 1.0 CHA B:HEM163 3.3 28.6 1.0 ND1 B:HIS105 3.3 35.7 1.0 CHC B:HEM163 3.4 21.6 1.0 CHB B:HEM163 3.4 25.5 1.0 CHD B:HEM163 3.5 23.5 1.0 CD2 B:HIS105 3.9 34.6 1.0 CG B:HIS70 4.1 27.1 1.0 ND1 B:HIS70 4.1 23.4 1.0 C3D B:HEM163 4.2 29.7 1.0 C2A B:HEM163 4.2 27.4 1.0 C3B B:HEM163 4.2 20.5 1.0 C3A B:HEM163 4.2 26.7 1.0 CG B:HIS105 4.2 34.7 1.0 C2B B:HEM163 4.2 21.0 1.0 C2D B:HEM163 4.3 29.4 1.0 C2C B:HEM163 4.3 21.2 1.0 C3C B:HEM163 4.4 22.9 1.0

S.Kakar, R.Sturms, A.Tiffany, J.C.Nix, A.A.Dispirito, M.S.Hargrove. Crystal Structures of Parasponia and Trema Hemoglobins: Differential Heme Coordination Is Linked to Quaternary Structure. Biochemistry V. 50 4273 2011.
ISSN: ISSN 0006-2960
PubMed: 21491905
DOI: 10.1021/BI2002423