Iron in PDB 3qqq: Crystal Structure of Non-Symbiotic Plant Hemoglobin From Trema Tomentosa

The structure of Crystal Structure of Non-Symbiotic Plant Hemoglobin From Trema Tomentosa, PDB code: 3qqq 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)	55.56 / 1.84
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.870, 70.736, 89.587, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 24.9

The binding sites of Iron atom in the Crystal Structure of Non-Symbiotic Plant Hemoglobin From Trema Tomentosa (pdb code 3qqq). 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 Non-Symbiotic Plant Hemoglobin From Trema Tomentosa, PDB code: 3qqq:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Non-Symbiotic Plant Hemoglobin From Trema Tomentosa


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 Non-Symbiotic Plant Hemoglobin From Trema Tomentosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe163 b:23.8 occ:1.00 FE A:HEM163 0.0 23.8 1.0 NE2 A:HIS70 2.0 18.3 1.0 NB A:HEM163 2.0 21.7 1.0 NE2 A:HIS105 2.0 22.1 1.0 NC A:HEM163 2.1 21.9 1.0 NA A:HEM163 2.1 23.9 1.0 ND A:HEM163 2.1 23.8 1.0 CD2 A:HIS70 3.0 17.1 1.0 CD2 A:HIS105 3.0 22.0 1.0 CE1 A:HIS70 3.0 18.0 1.0 C4B A:HEM163 3.0 21.6 1.0 C1C A:HEM163 3.0 21.9 1.0 CE1 A:HIS105 3.1 23.4 1.0 C1A A:HEM163 3.1 24.8 1.0 C4D A:HEM163 3.1 24.8 1.0 C1B A:HEM163 3.1 21.7 1.0 C4C A:HEM163 3.1 22.3 1.0 C1D A:HEM163 3.1 24.1 1.0 C4A A:HEM163 3.1 23.6 1.0 CHC A:HEM163 3.4 21.4 1.0 CHA A:HEM163 3.4 24.1 1.0 CHD A:HEM163 3.4 22.3 1.0 CHB A:HEM163 3.5 22.1 1.0 ND1 A:HIS70 4.1 17.7 1.0 CG A:HIS70 4.1 18.3 1.0 ND1 A:HIS105 4.1 22.5 1.0 CG A:HIS105 4.2 23.2 1.0 C3B A:HEM163 4.3 19.9 1.0 C2C A:HEM163 4.3 21.8 1.0 C2B A:HEM163 4.3 19.9 1.0 C3C A:HEM163 4.3 21.6 1.0 C2A A:HEM163 4.3 26.2 1.0 C3D A:HEM163 4.3 25.0 1.0 C3A A:HEM163 4.3 24.7 1.0 C2D A:HEM163 4.3 24.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Non-Symbiotic Plant Hemoglobin From Trema Tomentosa


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 Non-Symbiotic Plant Hemoglobin From Trema Tomentosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe163 b:21.1 occ:1.00 FE B:HEM163 0.0 21.1 1.0 NE2 B:HIS70 2.0 18.5 1.0 NB B:HEM163 2.0 20.6 1.0 NA B:HEM163 2.1 21.8 1.0 NC B:HEM163 2.1 18.7 1.0 NE2 B:HIS105 2.1 18.7 1.0 ND B:HEM163 2.1 21.0 1.0 CE1 B:HIS70 2.9 18.7 1.0 CD2 B:HIS105 3.0 19.7 1.0 CD2 B:HIS70 3.1 20.0 1.0 C1B B:HEM163 3.1 20.7 1.0 C4A B:HEM163 3.1 22.1 1.0 CE1 B:HIS105 3.1 19.5 1.0 C4C B:HEM163 3.1 17.5 1.0 C4B B:HEM163 3.1 20.5 1.0 C1A B:HEM163 3.1 23.6 1.0 C1C B:HEM163 3.1 18.4 1.0 C1D B:HEM163 3.1 20.7 1.0 C4D B:HEM163 3.1 22.4 1.0 CHB B:HEM163 3.4 20.6 1.0 CHD B:HEM163 3.4 17.9 1.0 CHA B:HEM163 3.4 22.6 1.0 CHC B:HEM163 3.5 19.1 1.0 ND1 B:HIS70 4.1 19.1 1.0 ND1 B:HIS105 4.1 19.2 1.0 CG B:HIS105 4.2 20.1 1.0 CG B:HIS70 4.2 20.2 1.0 C2B B:HEM163 4.3 20.9 1.0 C3A B:HEM163 4.3 22.8 1.0 C2A B:HEM163 4.3 24.6 1.0 C3B B:HEM163 4.3 20.6 1.0 C3C B:HEM163 4.3 17.0 1.0 C2C B:HEM163 4.3 17.3 1.0 C2D B:HEM163 4.3 21.8 1.0 C3D B:HEM163 4.3 22.8 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