Iron in PDB 4yu3: The Crystal Structure of Mongoose (Helogale Parvula) Hemoglobin at pH 8.2

The structure of The Crystal Structure of Mongoose (Helogale Parvula) Hemoglobin at pH 8.2, PDB code: 4yu3 was solved by M.M.Abubakkar, V.Maheshwaran, M.N.Ponnuswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.82 / 2.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.038, 88.947, 55.600, 90.00, 115.39, 90.00
R / Rfree (%)	26.4 / 29.8

The binding sites of Iron atom in the The Crystal Structure of Mongoose (Helogale Parvula) Hemoglobin at pH 8.2 (pdb code 4yu3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Crystal Structure of Mongoose (Helogale Parvula) Hemoglobin at pH 8.2, PDB code: 4yu3:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Crystal Structure of Mongoose (Helogale Parvula) Hemoglobin at pH 8.2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Mongoose (Helogale Parvula) Hemoglobin at pH 8.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:21.1 occ:1.00 FE A:HEM201 0.0 21.1 1.0 NE2 A:HIS87 1.9 19.3 1.0 NB A:HEM201 2.0 14.8 1.0 O2 A:OXY202 2.1 53.6 1.0 NC A:HEM201 2.1 15.7 1.0 ND A:HEM201 2.1 18.8 1.0 NA A:HEM201 2.1 19.6 1.0 O1 A:OXY202 2.6 52.7 1.0 CE1 A:HIS87 2.7 18.7 1.0 C4B A:HEM201 3.0 12.8 1.0 C1B A:HEM201 3.0 14.5 1.0 C4D A:HEM201 3.1 21.4 1.0 C1C A:HEM201 3.1 15.1 1.0 C1A A:HEM201 3.1 21.9 1.0 C4A A:HEM201 3.1 19.9 1.0 C1D A:HEM201 3.1 22.0 1.0 C4C A:HEM201 3.1 16.4 1.0 CD2 A:HIS87 3.2 17.7 1.0 CHC A:HEM201 3.4 13.5 1.0 CHA A:HEM201 3.4 20.4 1.0 CHB A:HEM201 3.5 16.1 1.0 CHD A:HEM201 3.5 18.7 1.0 ND1 A:HIS87 3.9 19.4 1.0 CG A:HIS87 4.1 21.1 1.0 C3B A:HEM201 4.2 11.7 1.0 C2B A:HEM201 4.2 11.6 1.0 C2C A:HEM201 4.3 13.8 1.0 NE2 A:HIS58 4.3 25.7 1.0 C3C A:HEM201 4.3 15.9 1.0 C2A A:HEM201 4.3 24.6 1.0 C3D A:HEM201 4.3 21.8 1.0 C3A A:HEM201 4.3 22.0 1.0 C2D A:HEM201 4.4 20.1 1.0 CE1 A:HIS58 4.4 27.3 1.0

Iron binding site 2 out of 2 in the The Crystal Structure of Mongoose (Helogale Parvula) Hemoglobin at pH 8.2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of Mongoose (Helogale Parvula) Hemoglobin at pH 8.2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:30.8 occ:1.00 FE B:HEM201 0.0 30.8 1.0 O2 B:OXY202 1.3 17.7 1.0 NC B:HEM201 2.0 32.8 1.0 NB B:HEM201 2.1 33.2 1.0 NA B:HEM201 2.1 33.8 1.0 NE2 B:HIS92 2.2 33.3 1.0 ND B:HEM201 2.2 32.3 1.0 O1 B:OXY202 2.3 22.6 1.0 C4C B:HEM201 3.0 32.4 1.0 C1C B:HEM201 3.1 31.9 1.0 C1B B:HEM201 3.1 32.9 1.0 C4B B:HEM201 3.1 33.7 1.0 CD2 B:HIS92 3.1 32.4 1.0 C4A B:HEM201 3.1 35.0 1.0 C1D B:HEM201 3.1 32.4 1.0 C1A B:HEM201 3.2 35.7 1.0 CE1 B:HIS92 3.2 32.7 1.0 C4D B:HEM201 3.2 32.9 1.0 CHD B:HEM201 3.4 33.1 1.0 CHB B:HEM201 3.4 33.0 1.0 CHC B:HEM201 3.5 30.7 1.0 CHA B:HEM201 3.6 34.8 1.0 NE2 B:HIS63 4.2 29.7 1.0 C3C B:HEM201 4.2 30.5 1.0 C2C B:HEM201 4.2 31.7 1.0 CG B:HIS92 4.3 35.8 1.0 ND1 B:HIS92 4.3 34.5 1.0 C3B B:HEM201 4.3 33.3 1.0 C2B B:HEM201 4.3 33.1 1.0 C3A B:HEM201 4.3 36.1 1.0 C2D B:HEM201 4.4 32.8 1.0 C2A B:HEM201 4.4 37.4 1.0 C3D B:HEM201 4.4 32.8 1.0 CG2 B:VAL67 4.7 22.8 1.0 CE1 B:HIS63 4.7 29.7 1.0

M.M.Abubakkar, V.Maheshwaran, M.N.Ponnuswamy. The Crystal Structure of Mongoose (Helogale Parvula) Hemoglobin at pH 8.2 To Be Published.