Iron in PDB 3a0g: Crystal Structure Analysis of Guinea Pig Oxyhemoglobin at 2.5 Angstroms Resolution

The structure of Crystal Structure Analysis of Guinea Pig Oxyhemoglobin at 2.5 Angstroms Resolution, PDB code: 3a0g was solved by S.Etti, G.Shanmugam, P.Karthe, K.Gunasekaran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.89 / 2.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	90.370, 84.217, 83.260, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 22

The binding sites of Iron atom in the Crystal Structure Analysis of Guinea Pig Oxyhemoglobin at 2.5 Angstroms Resolution (pdb code 3a0g). 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 Analysis of Guinea Pig Oxyhemoglobin at 2.5 Angstroms Resolution, PDB code: 3a0g:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure Analysis of Guinea Pig Oxyhemoglobin at 2.5 Angstroms 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 Analysis of Guinea Pig Oxyhemoglobin at 2.5 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:13.2 occ:1.00 FE A:HEM201 0.0 13.2 1.0 O1 A:OXY301 1.7 20.7 1.0 NA A:HEM201 2.1 11.2 1.0 NE2 A:HIS87 2.1 8.2 1.0 NC A:HEM201 2.1 8.1 1.0 ND A:HEM201 2.1 12.8 1.0 NB A:HEM201 2.1 10.9 1.0 O2 A:OXY301 2.6 27.9 1.0 C4C A:HEM201 3.0 9.3 1.0 CE1 A:HIS87 3.0 7.3 1.0 C4D A:HEM201 3.1 14.3 1.0 C4B A:HEM201 3.1 10.5 1.0 C1A A:HEM201 3.1 11.4 1.0 C1D A:HEM201 3.1 14.1 1.0 CD2 A:HIS87 3.1 10.9 1.0 C4A A:HEM201 3.2 13.6 1.0 C1C A:HEM201 3.2 7.0 1.0 C1B A:HEM201 3.3 9.1 1.0 CHA A:HEM201 3.4 14.0 1.0 CHD A:HEM201 3.5 12.7 1.0 CHC A:HEM201 3.7 8.2 1.0 CHB A:HEM201 3.7 10.7 1.0 C3C A:HEM201 4.1 9.5 1.0 ND1 A:HIS87 4.2 8.2 1.0 C3B A:HEM201 4.3 13.6 1.0 CG A:HIS87 4.3 14.5 1.0 C3D A:HEM201 4.3 18.6 1.0 NE2 A:HIS58 4.3 10.9 1.0 C2C A:HEM201 4.3 11.4 1.0 C2A A:HEM201 4.3 15.8 1.0 C2D A:HEM201 4.3 17.1 1.0 C3A A:HEM201 4.3 13.9 1.0 C2B A:HEM201 4.4 14.5 1.0 CE1 A:HIS58 4.7 10.7 1.0 CG2 A:VAL62 4.9 10.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure Analysis of Guinea Pig Oxyhemoglobin at 2.5 Angstroms 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 Analysis of Guinea Pig Oxyhemoglobin at 2.5 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:21.5 occ:1.00 FE B:HEM401 0.0 21.5 1.0 O1 B:OXY501 1.7 24.6 1.0 NC B:HEM401 2.0 17.1 1.0 NB B:HEM401 2.0 16.7 1.0 NE2 B:HIS92 2.1 20.2 1.0 NA B:HEM401 2.2 17.1 1.0 ND B:HEM401 2.2 17.1 1.0 O2 B:OXY501 2.5 26.9 1.0 CE1 B:HIS92 2.9 19.4 1.0 C4B B:HEM401 3.0 15.5 1.0 C1C B:HEM401 3.0 15.9 1.0 C4C B:HEM401 3.0 13.0 1.0 C1B B:HEM401 3.1 16.5 1.0 CD2 B:HIS92 3.1 22.8 1.0 C1D B:HEM401 3.1 18.6 1.0 C4A B:HEM401 3.2 17.5 1.0 C1A B:HEM401 3.2 18.8 1.0 C4D B:HEM401 3.2 18.3 1.0 CHC B:HEM401 3.3 13.9 1.0 CHD B:HEM401 3.4 15.1 1.0 CHB B:HEM401 3.5 17.0 1.0 CHA B:HEM401 3.6 16.5 1.0 ND1 B:HIS92 4.1 17.5 1.0 C3C B:HEM401 4.2 13.2 1.0 CG B:HIS92 4.2 26.1 1.0 C2C B:HEM401 4.2 14.4 1.0 C3B B:HEM401 4.3 19.3 1.0 C2B B:HEM401 4.3 16.6 1.0 C3A B:HEM401 4.4 17.3 1.0 C2A B:HEM401 4.4 20.1 1.0 C3D B:HEM401 4.4 20.4 1.0 C2D B:HEM401 4.4 19.9 1.0 NE2 B:HIS63 4.4 12.1 1.0 CG2 B:VAL67 4.7 17.1 1.0

S.Etti, G.Shanmugam, P.Karthe, K.Gunasekaran. Crystal Structure Analysis of Guinea Pig Oxyhemoglobin at 2.5 Angstroms Resolution To Be Published.