Iron in PDB 6bmg: Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)

The structure of Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy), PDB code: 6bmg was solved by P.P.Samuel, M.D.Miller, W.Xu, S.Alvarado, G.N.Phillips Jr., J.S.Olson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.29 / 1.88
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.995, 85.995, 109.010, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 19

The structure of Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy) also contains other interesting chemical elements:

Cadmium

(Cd)

9 atoms

The binding sites of Iron atom in the Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy) (pdb code 6bmg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy), PDB code: 6bmg:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:25.2 occ:1.00 FE A:HEM201 0.0 25.2 1.0 NC A:HEM201 2.0 24.0 1.0 ND A:HEM201 2.0 26.7 1.0 NB A:HEM201 2.0 27.4 1.0 O1 A:OXY202 2.1 24.1 0.5 NA A:HEM201 2.1 26.5 1.0 NE2 A:HIS93 2.1 28.1 1.0 O2 A:OXY202 2.9 30.2 0.5 C1D A:HEM201 3.0 25.8 1.0 C1C A:HEM201 3.0 24.2 1.0 C4C A:HEM201 3.0 25.7 1.0 C4B A:HEM201 3.1 24.5 1.0 C4D A:HEM201 3.1 26.2 1.0 C4A A:HEM201 3.1 23.5 1.0 C1A A:HEM201 3.1 28.0 1.0 CE1 A:HIS93 3.1 28.1 1.0 C1B A:HEM201 3.1 26.6 1.0 CD2 A:HIS93 3.2 29.2 1.0 HE1 A:HIS93 3.2 33.7 1.0 HD2 A:HIS93 3.3 35.1 1.0 CHD A:HEM201 3.4 26.3 1.0 CHC A:HEM201 3.4 24.0 1.0 CHB A:HEM201 3.4 22.7 1.0 CHA A:HEM201 3.4 27.0 1.0 HG22 A:VAL68 3.8 33.8 1.0 HE2 A:HIS64 4.0 35.3 1.0 HE1 A:HIS64 4.1 36.5 1.0 ND1 A:HIS93 4.2 30.0 1.0 C2D A:HEM201 4.2 24.8 1.0 C2C A:HEM201 4.3 24.5 1.0 C3D A:HEM201 4.3 26.0 1.0 C3B A:HEM201 4.3 25.4 1.0 C3A A:HEM201 4.3 26.3 1.0 C3C A:HEM201 4.3 23.0 1.0 CG A:HIS93 4.3 30.3 1.0 C2A A:HEM201 4.3 26.9 1.0 C2B A:HEM201 4.3 26.6 1.0 HHD A:HEM201 4.4 31.6 1.0 HHC A:HEM201 4.4 28.8 1.0 HHB A:HEM201 4.4 27.2 1.0 HHA A:HEM201 4.4 32.5 1.0 HD11 A:LEU89 4.5 50.3 1.0 HD2 A:HIS97 4.6 35.8 1.0 NE2 A:HIS64 4.6 29.4 1.0 HG13 A:ILE99 4.6 33.8 1.0 HZ A:PHE43 4.6 33.6 1.0 CG2 A:VAL68 4.6 28.2 1.0 HG21 A:VAL68 4.7 33.8 1.0 CE1 A:HIS64 4.7 30.4 1.0 HD1 A:HIS93 5.0 36.0 1.0

Iron binding site 2 out of 2 in the Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:26.2 occ:1.00 FE B:HEM201 0.0 26.2 1.0 O1 B:OXY202 1.8 31.5 0.7 NB B:HEM201 2.0 28.8 1.0 NA B:HEM201 2.0 30.4 1.0 NE2 B:HIS93 2.1 30.7 1.0 ND B:HEM201 2.1 30.2 1.0 NC B:HEM201 2.1 26.2 1.0 O2 B:OXY202 2.8 34.6 0.7 CE1 B:HIS93 3.0 33.0 1.0 C1B B:HEM201 3.0 33.2 1.0 C4C B:HEM201 3.1 29.2 1.0 C4A B:HEM201 3.1 30.4 1.0 C4D B:HEM201 3.1 32.5 1.0 C1D B:HEM201 3.1 30.8 1.0 C1A B:HEM201 3.1 30.8 1.0 C4B B:HEM201 3.1 27.6 1.0 C1C B:HEM201 3.1 27.9 1.0 CD2 B:HIS93 3.1 29.7 1.0 HE1 B:HIS93 3.1 39.6 1.0 HD2 B:HIS93 3.3 35.6 1.0 CHD B:HEM201 3.4 33.8 1.0 CHA B:HEM201 3.4 30.3 1.0 CHB B:HEM201 3.4 30.9 1.0 CHC B:HEM201 3.5 30.2 1.0 HE2 B:HIS64 3.9 41.4 1.0 HG22 B:VAL68 3.9 37.4 1.0 ND1 B:HIS93 4.1 31.8 1.0 CG B:HIS93 4.2 30.9 1.0 C2B B:HEM201 4.3 33.5 1.0 C2D B:HEM201 4.3 34.4 1.0 C3B B:HEM201 4.3 29.4 1.0 C3A B:HEM201 4.3 33.1 1.0 C3D B:HEM201 4.3 35.9 1.0 C3C B:HEM201 4.3 25.6 1.0 C2A B:HEM201 4.3 31.9 1.0 C2C B:HEM201 4.3 27.1 1.0 HE1 B:HIS64 4.4 43.4 1.0 HHD B:HEM201 4.4 40.6 1.0 HHA B:HEM201 4.4 36.4 1.0 HHB B:HEM201 4.4 37.1 1.0 HHC B:HEM201 4.4 36.2 1.0 HD11 B:LEU89 4.5 64.5 1.0 NE2 B:HIS64 4.6 34.5 1.0 HD2 B:HIS97 4.6 43.8 1.0 HG13 B:ILE99 4.6 40.0 1.0 HG21 B:VAL68 4.7 37.4 1.0 CG2 B:VAL68 4.8 31.1 1.0 CE1 B:HIS64 4.8 36.1 1.0 HE2 B:PHE43 4.9 39.6 1.0 HZ B:PHE43 4.9 39.1 1.0 HD1 B:HIS93 4.9 38.2 1.0

P.P.Samuel, M.D.Miller, W.Xu, S.Alvarado, G.N.Phillips Jr., J.S.Olson. Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy) To Be Published.