Iron in PDB 3wtg: Crystal Structure of Emu (Dromaius Novaehollandiae) Hemoglobin at 2.3 Angstrom Resolution

The structure of Crystal Structure of Emu (Dromaius Novaehollandiae) Hemoglobin at 2.3 Angstrom Resolution, PDB code: 3wtg was solved by M.M.Abubakkar, V.Maheshwaran, M.N.Ponnuswamy, K.Saraboji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.36 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.271, 80.010, 103.559, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 25.7

The binding sites of Iron atom in the Crystal Structure of Emu (Dromaius Novaehollandiae) Hemoglobin at 2.3 Angstrom Resolution (pdb code 3wtg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Emu (Dromaius Novaehollandiae) Hemoglobin at 2.3 Angstrom Resolution, PDB code: 3wtg:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Emu (Dromaius Novaehollandiae) Hemoglobin at 2.3 Angstrom Resolution


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 Emu (Dromaius Novaehollandiae) Hemoglobin at 2.3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:25.3 occ:1.00 FE A:HEM201 0.0 25.3 1.0 O1 A:OXY202 1.6 23.9 1.0 NE2 A:HIS87 2.0 24.8 1.0 NB A:HEM201 2.0 21.4 1.0 NC A:HEM201 2.0 23.0 1.0 NA A:HEM201 2.1 26.1 1.0 ND A:HEM201 2.1 21.8 1.0 O2 A:OXY202 2.6 26.8 1.0 CE1 A:HIS87 2.8 24.0 1.0 C4B A:HEM201 3.0 20.4 1.0 C1C A:HEM201 3.0 23.7 1.0 C1B A:HEM201 3.0 21.0 1.0 C4C A:HEM201 3.0 24.7 1.0 C4D A:HEM201 3.1 26.5 1.0 C4A A:HEM201 3.1 27.5 1.0 C1A A:HEM201 3.1 27.6 1.0 CD2 A:HIS87 3.1 25.9 1.0 C1D A:HEM201 3.1 24.6 1.0 CHC A:HEM201 3.3 22.5 1.0 CHB A:HEM201 3.4 24.6 1.0 CHD A:HEM201 3.5 22.9 1.0 CHA A:HEM201 3.5 27.1 1.0 ND1 A:HIS87 4.0 24.2 1.0 CG A:HIS87 4.2 24.5 1.0 C3C A:HEM201 4.2 25.1 1.0 C3B A:HEM201 4.2 20.6 1.0 C2C A:HEM201 4.2 22.8 1.0 C2B A:HEM201 4.2 21.0 1.0 C2A A:HEM201 4.3 31.4 1.0 C3A A:HEM201 4.3 28.9 1.0 C3D A:HEM201 4.3 25.5 1.0 C2D A:HEM201 4.3 22.2 1.0 NE2 A:HIS58 4.4 25.5 1.0 CE1 A:HIS58 4.8 25.2 1.0 CG2 A:VAL62 4.9 24.3 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Emu (Dromaius Novaehollandiae) Hemoglobin at 2.3 Angstrom Resolution


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 Emu (Dromaius Novaehollandiae) Hemoglobin at 2.3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:29.6 occ:1.00 FE B:HEM201 0.0 29.6 1.0 O1 B:OXY202 1.9 34.9 1.0 NC B:HEM201 2.0 28.7 1.0 ND B:HEM201 2.0 30.0 1.0 NB B:HEM201 2.1 27.9 1.0 NE2 B:HIS92 2.1 29.7 1.0 NA B:HEM201 2.1 32.1 1.0 O2 B:OXY202 2.5 33.3 1.0 C4C B:HEM201 3.0 29.7 1.0 C1C B:HEM201 3.0 27.8 1.0 C1D B:HEM201 3.0 30.5 1.0 CD2 B:HIS92 3.1 30.6 1.0 C4D B:HEM201 3.1 32.8 1.0 C4B B:HEM201 3.1 27.7 1.0 CE1 B:HIS92 3.1 28.7 1.0 C1A B:HEM201 3.1 34.0 1.0 C4A B:HEM201 3.1 30.8 1.0 C1B B:HEM201 3.1 29.5 1.0 CHD B:HEM201 3.4 29.7 1.0 CHA B:HEM201 3.4 33.9 1.0 CHC B:HEM201 3.4 27.3 1.0 CHB B:HEM201 3.5 29.0 1.0 ND1 B:HIS92 4.2 29.4 1.0 CG B:HIS92 4.2 32.7 1.0 C3C B:HEM201 4.2 25.4 1.0 C2C B:HEM201 4.3 26.8 1.0 C2A B:HEM201 4.3 35.9 1.0 C2D B:HEM201 4.3 32.1 1.0 C3B B:HEM201 4.3 29.3 1.0 C3D B:HEM201 4.3 33.8 1.0 C3A B:HEM201 4.3 33.5 1.0 C2B B:HEM201 4.3 29.0 1.0 NE2 B:HIS63 4.3 28.3 1.0 CG2 B:VAL67 4.7 22.9 1.0 CE1 B:HIS63 4.8 28.2 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Emu (Dromaius Novaehollandiae) Hemoglobin at 2.3 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Emu (Dromaius Novaehollandiae) Hemoglobin at 2.3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:23.3 occ:1.00 FE C:HEM201 0.0 23.3 1.0 O1 C:OXY202 1.7 27.9 1.0 NC C:HEM201 2.0 23.5 1.0 ND C:HEM201 2.0 22.9 1.0 NB C:HEM201 2.1 22.0 1.0 NE2 C:HIS87 2.1 16.1 1.0 NA C:HEM201 2.1 24.9 1.0 O2 C:OXY202 2.7 28.0 1.0 C4D C:HEM201 3.0 24.6 1.0 C1C C:HEM201 3.0 22.4 1.0 C4C C:HEM201 3.0 24.7 1.0 C1D C:HEM201 3.1 26.1 1.0 CE1 C:HIS87 3.1 14.1 1.0 CD2 C:HIS87 3.1 15.0 1.0 C1A C:HEM201 3.1 24.5 1.0 C4B C:HEM201 3.1 19.4 1.0 C1B C:HEM201 3.1 21.2 1.0 C4A C:HEM201 3.1 24.0 1.0 CHA C:HEM201 3.4 23.5 1.0 CHC C:HEM201 3.4 20.6 1.0 CHD C:HEM201 3.4 26.5 1.0 CHB C:HEM201 3.5 20.8 1.0 ND1 C:HIS87 4.2 14.9 1.0 CG C:HIS87 4.2 14.1 1.0 C3D C:HEM201 4.2 28.2 1.0 C3C C:HEM201 4.2 20.4 1.0 C2C C:HEM201 4.2 21.2 1.0 C2A C:HEM201 4.3 27.5 1.0 C2D C:HEM201 4.3 25.3 1.0 C3B C:HEM201 4.3 18.3 1.0 C3A C:HEM201 4.3 22.9 1.0 C2B C:HEM201 4.3 18.8 1.0 CE1 C:HIS58 4.5 25.8 1.0 NE2 C:HIS58 4.5 24.8 1.0 CG2 C:VAL62 4.8 19.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Emu (Dromaius Novaehollandiae) Hemoglobin at 2.3 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Emu (Dromaius Novaehollandiae) Hemoglobin at 2.3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:17.4 occ:1.00 FE D:HEM201 0.0 17.4 1.0 O1 D:OXY202 1.6 25.9 1.0 NE2 D:HIS92 2.0 21.1 1.0 NB D:HEM201 2.0 16.2 1.0 NC D:HEM201 2.0 17.6 1.0 ND D:HEM201 2.0 15.9 1.0 NA D:HEM201 2.1 18.9 1.0 O2 D:OXY202 2.7 29.7 1.0 CE1 D:HIS92 2.9 21.2 1.0 C4C D:HEM201 3.0 15.5 1.0 C1B D:HEM201 3.0 17.5 1.0 C1D D:HEM201 3.0 16.9 1.0 C4D D:HEM201 3.0 18.9 1.0 C4A D:HEM201 3.1 19.4 1.0 CD2 D:HIS92 3.1 19.0 1.0 C1A D:HEM201 3.1 22.5 1.0 C4B D:HEM201 3.1 19.2 1.0 C1C D:HEM201 3.1 14.9 1.0 CHD D:HEM201 3.3 14.0 1.0 CHB D:HEM201 3.4 19.7 1.0 CHA D:HEM201 3.4 19.7 1.0 CHC D:HEM201 3.5 16.6 1.0 ND1 D:HIS92 4.1 20.2 1.0 CG D:HIS92 4.2 20.5 1.0 C3C D:HEM201 4.2 13.6 1.0 C2A D:HEM201 4.3 23.0 1.0 C3A D:HEM201 4.3 22.8 1.0 C2B D:HEM201 4.3 19.4 1.0 C3D D:HEM201 4.3 19.8 1.0 C2D D:HEM201 4.3 17.7 1.0 C3B D:HEM201 4.3 16.8 1.0 C2C D:HEM201 4.3 12.4 1.0 NE2 D:HIS63 4.4 24.9 1.0 CE1 D:HIS63 4.7 22.9 1.0 CG2 D:VAL67 4.8 17.1 1.0

M.M.Abubakkar, K.Saraboji, M.N.Ponnuswamy. Purification and Preliminary Structural Studies of Hemoglobin From High Oxygen Affinity Species Emu (Dromaius Novaehollandiae) at Neutral pH To Be Published.