Iron in PDB 3bcq: Crystal Structure of Oxy-Hemoglobin From Brycon Cephalus

The structure of Crystal Structure of Oxy-Hemoglobin From Brycon Cephalus, PDB code: 3bcq was solved by C.D.Poy, A.M.Leopoldino, P.Rahal, W.F.De Azevedo, G.O.B.Rodriguez, M.T.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.89 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	119.366, 54.039, 101.906, 90.00, 113.89, 90.00
R / Rfree (%)	16.6 / 27.9

The binding sites of Iron atom in the Crystal Structure of Oxy-Hemoglobin From Brycon Cephalus (pdb code 3bcq). 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 Oxy-Hemoglobin From Brycon Cephalus, PDB code: 3bcq:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Oxy-Hemoglobin From Brycon Cephalus


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 Oxy-Hemoglobin From Brycon Cephalus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:29.7 occ:1.00 FE A:HEM143 0.0 29.7 1.0 O1 A:OXY144 1.5 22.1 1.0 ND A:HEM143 2.0 27.9 1.0 NB A:HEM143 2.0 28.8 1.0 NA A:HEM143 2.1 29.5 1.0 NE2 A:HIS88 2.1 33.8 1.0 NC A:HEM143 2.1 24.9 1.0 O2 A:OXY144 2.5 26.7 1.0 C4D A:HEM143 2.9 32.2 1.0 C4B A:HEM143 3.0 26.7 1.0 C1A A:HEM143 3.0 28.9 1.0 CE1 A:HIS88 3.0 31.5 1.0 CD2 A:HIS88 3.1 30.5 1.0 C1D A:HEM143 3.1 29.4 1.0 C1C A:HEM143 3.1 25.7 1.0 C4A A:HEM143 3.1 30.6 1.0 C4C A:HEM143 3.2 29.0 1.0 C1B A:HEM143 3.2 33.0 1.0 CHA A:HEM143 3.3 28.4 1.0 CHC A:HEM143 3.4 26.1 1.0 CHD A:HEM143 3.5 28.2 1.0 CHB A:HEM143 3.6 30.9 1.0 C3D A:HEM143 4.1 32.0 1.0 NE2 A:HIS59 4.2 43.7 1.0 ND1 A:HIS88 4.2 32.6 1.0 C3B A:HEM143 4.2 29.6 1.0 CG A:HIS88 4.2 36.4 1.0 C2D A:HEM143 4.3 29.8 1.0 C2A A:HEM143 4.3 35.4 1.0 C2B A:HEM143 4.3 29.1 1.0 C3A A:HEM143 4.3 33.4 1.0 C3C A:HEM143 4.4 28.8 1.0 C2C A:HEM143 4.4 28.2 1.0 CE1 A:HIS59 4.7 41.8 1.0 CD1 A:LEU92 4.8 34.5 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Oxy-Hemoglobin From Brycon Cephalus


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 Oxy-Hemoglobin From Brycon Cephalus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:38.0 occ:1.00 FE B:HEM147 0.0 38.0 1.0 O1 B:OXY148 1.6 48.6 1.0 ND B:HEM147 2.1 36.5 1.0 NC B:HEM147 2.1 34.1 1.0 NB B:HEM147 2.1 36.2 1.0 NE2 B:HIS92 2.2 42.8 1.0 NA B:HEM147 2.2 36.0 1.0 O2 B:OXY148 2.5 52.7 1.0 CE1 B:HIS92 3.0 40.7 1.0 C1D B:HEM147 3.0 38.7 1.0 C4B B:HEM147 3.0 34.5 1.0 C4D B:HEM147 3.0 39.5 1.0 C1C B:HEM147 3.1 33.5 1.0 C4C B:HEM147 3.1 35.5 1.0 C1A B:HEM147 3.1 35.1 1.0 C4A B:HEM147 3.2 35.8 1.0 C1B B:HEM147 3.2 36.0 1.0 CD2 B:HIS92 3.3 41.7 1.0 CHD B:HEM147 3.4 39.0 1.0 CHC B:HEM147 3.4 36.5 1.0 CHA B:HEM147 3.4 37.6 1.0 CHB B:HEM147 3.6 36.7 1.0 NE2 B:HIS63 4.1 42.0 1.0 ND1 B:HIS92 4.1 42.6 1.0 C2D B:HEM147 4.2 39.3 1.0 C3D B:HEM147 4.2 38.6 1.0 C3B B:HEM147 4.3 37.6 1.0 C2C B:HEM147 4.3 36.7 1.0 C3C B:HEM147 4.3 37.0 1.0 C2B B:HEM147 4.3 37.2 1.0 CG B:HIS92 4.3 45.6 1.0 C2A B:HEM147 4.4 40.5 1.0 C3A B:HEM147 4.4 37.2 1.0 CE1 B:HIS63 4.5 40.7 1.0 CG2 B:VAL67 4.9 27.4 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Oxy-Hemoglobin From Brycon Cephalus


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 Oxy-Hemoglobin From Brycon Cephalus within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe143 b:27.7 occ:1.00 FE C:HEM143 0.0 27.7 1.0 O2 C:OXY144 1.8 37.0 1.0 ND C:HEM143 2.0 27.5 1.0 NE2 C:HIS88 2.1 24.9 1.0 NA C:HEM143 2.1 28.2 1.0 NC C:HEM143 2.1 26.4 1.0 NB C:HEM143 2.2 25.1 1.0 O1 C:OXY144 2.6 40.0 1.0 C1A C:HEM143 2.9 27.7 1.0 C4D C:HEM143 2.9 26.7 1.0 CE1 C:HIS88 3.0 26.0 1.0 C1D C:HEM143 3.1 28.3 1.0 C1C C:HEM143 3.2 23.3 1.0 CD2 C:HIS88 3.2 22.5 1.0 C4B C:HEM143 3.2 24.1 1.0 C4C C:HEM143 3.2 27.8 1.0 CHA C:HEM143 3.2 25.0 1.0 C1B C:HEM143 3.3 25.5 1.0 C4A C:HEM143 3.4 29.3 1.0 CHC C:HEM143 3.5 26.1 1.0 CHD C:HEM143 3.6 28.5 1.0 CHB C:HEM143 3.8 24.9 1.0 NE2 C:HIS59 4.1 35.2 1.0 ND1 C:HIS88 4.1 26.1 1.0 C2A C:HEM143 4.2 32.1 1.0 C3D C:HEM143 4.2 29.0 1.0 CG C:HIS88 4.2 31.5 1.0 C2D C:HEM143 4.3 27.9 1.0 C2C C:HEM143 4.4 24.2 1.0 C3C C:HEM143 4.4 21.4 1.0 C2B C:HEM143 4.4 29.1 1.0 C3B C:HEM143 4.4 28.2 1.0 C3A C:HEM143 4.4 28.3 1.0 CE1 C:HIS59 4.5 32.6 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Oxy-Hemoglobin From Brycon Cephalus


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 Oxy-Hemoglobin From Brycon Cephalus within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:36.5 occ:1.00 FE D:HEM147 0.0 36.5 1.0 NA D:HEM147 2.0 37.9 1.0 NC D:HEM147 2.0 35.5 1.0 O1 D:OXY148 2.1 30.1 0.6 ND D:HEM147 2.1 37.4 1.0 NB D:HEM147 2.1 37.1 1.0 O2 D:OXY148 2.3 26.4 0.6 NE2 D:HIS92 2.3 30.4 1.0 C4C D:HEM147 3.0 35.6 1.0 C1A D:HEM147 3.0 39.4 1.0 C4A D:HEM147 3.0 36.2 1.0 C1C D:HEM147 3.1 31.6 1.0 C1D D:HEM147 3.1 36.8 1.0 CD2 D:HIS92 3.1 33.2 1.0 C1B D:HEM147 3.1 37.4 1.0 C4D D:HEM147 3.1 36.9 1.0 C4B D:HEM147 3.2 33.5 1.0 CHD D:HEM147 3.4 38.4 1.0 CE1 D:HIS92 3.4 30.9 1.0 CHB D:HEM147 3.4 34.4 1.0 CHA D:HEM147 3.4 35.2 1.0 CHC D:HEM147 3.5 32.9 1.0 NE2 D:HIS63 4.1 36.7 1.0 C2A D:HEM147 4.2 39.7 1.0 C3A D:HEM147 4.2 40.5 1.0 C3C D:HEM147 4.2 31.2 1.0 C2C D:HEM147 4.2 34.1 1.0 CG D:HIS92 4.3 35.6 1.0 C2D D:HEM147 4.3 38.6 1.0 C3D D:HEM147 4.3 40.6 1.0 C3B D:HEM147 4.4 33.0 1.0 C2B D:HEM147 4.4 37.0 1.0 ND1 D:HIS92 4.4 27.2 1.0 CE1 D:HIS63 4.7 38.6 1.0 CG2 D:VAL67 4.7 26.9 1.0

C.D.Poy, A.M.Leopoldino, P.Rahal, W.F.De Azevedo, G.O.B.Rodriguez, M.T.Murakami. Crystal Structure of Oxy-Hemoglobin From Brycon Cephalus To Be Published.