Iron in PDB 3rj6: Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant

The structure of Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant, PDB code: 3rj6 was solved by S.M.Smith, A.C.Rosenzweig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.78 / 1.23
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	28.341, 123.565, 34.986, 90.00, 89.73, 90.00
R / Rfree (%)	17.3 / 19.7

The binding sites of Iron atom in the Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant (pdb code 3rj6). 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 of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant, PDB code: 3rj6:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant


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 Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe154 b:6.8 occ:1.00 FE A:HEM154 0.0 6.8 1.0 ND A:HEM154 2.0 7.2 1.0 NE2 A:HIS93 2.0 7.4 1.0 NB A:HEM154 2.0 6.4 1.0 O A:HOH198 2.0 8.0 1.0 NC A:HEM154 2.1 7.6 1.0 NA A:HEM154 2.1 7.5 1.0 CE1 A:HIS93 3.0 8.1 1.0 C4D A:HEM154 3.0 8.0 1.0 C1D A:HEM154 3.0 7.4 1.0 C1A A:HEM154 3.0 7.4 1.0 C4B A:HEM154 3.0 6.8 1.0 C1C A:HEM154 3.0 6.7 1.0 C1B A:HEM154 3.1 6.6 1.0 CD2 A:HIS93 3.1 7.7 1.0 C4A A:HEM154 3.1 7.1 1.0 C4C A:HEM154 3.1 6.6 1.0 CHA A:HEM154 3.4 7.4 1.0 CHD A:HEM154 3.4 6.9 1.0 CHC A:HEM154 3.4 6.9 1.0 CHB A:HEM154 3.5 7.2 1.0 ND1 A:HIS93 4.2 8.3 1.0 CG A:HIS93 4.2 7.8 1.0 C2A A:HEM154 4.3 7.6 1.0 C2D A:HEM154 4.3 8.5 1.0 C3C A:HEM154 4.3 7.3 1.0 C3D A:HEM154 4.3 8.0 1.0 C2C A:HEM154 4.3 7.4 1.0 C3A A:HEM154 4.3 7.6 1.0 C3B A:HEM154 4.3 7.4 1.0 NE2 A:HIS64 4.3 7.5 1.0 C2B A:HEM154 4.3 6.3 1.0 CG2 A:VAL68 4.7 7.7 1.0 CE1 A:HIS64 4.8 7.2 1.0 CZ A:PHE43 4.9 9.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant


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 Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe154 b:5.9 occ:1.00 FE B:HEM154 0.0 5.9 1.0 NE2 B:HIS93 2.0 5.9 1.0 NA B:HEM154 2.0 5.7 1.0 NC B:HEM154 2.0 6.2 1.0 O B:HOH181 2.0 7.0 1.0 ND B:HEM154 2.0 6.9 1.0 NB B:HEM154 2.1 5.8 1.0 CE1 B:HIS93 3.0 6.8 1.0 C4D B:HEM154 3.0 6.9 1.0 C4A B:HEM154 3.0 5.6 1.0 C1C B:HEM154 3.0 5.5 1.0 C1A B:HEM154 3.0 6.1 1.0 CD2 B:HIS93 3.0 6.0 1.0 C4C B:HEM154 3.0 5.7 1.0 C1D B:HEM154 3.1 7.0 1.0 C1B B:HEM154 3.1 5.8 1.0 C4B B:HEM154 3.1 6.0 1.0 CHA B:HEM154 3.4 6.3 1.0 CHD B:HEM154 3.4 6.0 1.0 CHB B:HEM154 3.4 6.3 1.0 CHC B:HEM154 3.4 6.1 1.0 ND1 B:HIS93 4.2 7.5 1.0 CG B:HIS93 4.2 6.4 1.0 C2A B:HEM154 4.2 5.7 1.0 C3C B:HEM154 4.3 6.0 1.0 C3D B:HEM154 4.3 7.4 1.0 C3A B:HEM154 4.3 6.1 1.0 NE2 B:HIS64 4.3 7.2 1.0 C2D B:HEM154 4.3 6.8 1.0 C2C B:HEM154 4.3 6.4 1.0 C3B B:HEM154 4.3 6.5 1.0 C2B B:HEM154 4.3 6.3 1.0 CG2 B:VAL68 4.7 6.8 1.0 CE1 B:HIS64 4.8 7.0 1.0 CZ B:PHE43 4.9 9.7 1.0

A.K.Knutson, S.M.Smith, A.C.Rosenzweig, B.M.Hoffman. Crystal Structure of Horse Heart Ferric Myoglobin; K45E/K63E/K96E Mutant To Be Published.