Iron in PDB 3ba2: Cyanide Bound Chlorin Substituted Myoglobin

The structure of Cyanide Bound Chlorin Substituted Myoglobin, PDB code: 3ba2 was solved by J.Yi, D.M.Copeland, G.B.Richter-Addo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.35 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.123, 30.389, 64.499, 90.00, 106.01, 90.00
R / Rfree (%)	17.9 / 23.1

The binding sites of Iron atom in the Cyanide Bound Chlorin Substituted Myoglobin (pdb code 3ba2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Cyanide Bound Chlorin Substituted Myoglobin, PDB code: 3ba2:

Iron binding site 1 out of 1 in the Cyanide Bound Chlorin Substituted Myoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cyanide Bound Chlorin Substituted Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe158 b:13.7 occ:1.00 FE A:HKL158 0.0 13.7 1.0 N4 A:HKL158 2.0 13.2 1.0 N3 A:HKL158 2.0 12.6 1.0 NE2 A:HIS93 2.1 12.7 1.0 C A:CYN157 2.1 19.3 1.0 N2 A:HKL158 2.1 10.7 1.0 N1 A:HKL158 2.1 12.4 1.0 C23 A:HKL158 2.9 16.3 1.0 CE1 A:HIS93 3.0 11.9 1.0 C25 A:HKL158 3.0 15.3 1.0 C33 A:HKL158 3.0 12.9 1.0 C34 A:HKL158 3.1 14.0 1.0 C9 A:HKL158 3.1 9.8 1.0 C1 A:HKL158 3.1 12.9 1.0 C17 A:HKL158 3.1 13.5 1.0 CD2 A:HIS93 3.1 12.8 1.0 C15 A:HKL158 3.1 12.1 1.0 C7 A:HKL158 3.1 11.3 1.0 N A:CYN157 3.2 22.1 1.0 C8 A:HKL158 3.2 11.4 1.0 C16 A:HKL158 3.2 11.4 1.0 C24 A:HKL158 3.4 15.2 1.0 ND1 A:HIS93 4.1 12.0 1.0 C20 A:HKL158 4.1 15.5 1.0 CG A:HIS93 4.2 11.4 1.0 C26 A:HKL158 4.3 14.9 1.0 C18 A:HKL158 4.3 14.8 1.0 C31 A:HKL158 4.3 13.8 1.0 C4 A:HKL158 4.4 12.7 1.0 C2 A:HKL158 4.4 13.3 1.0 C12 A:HKL158 4.4 12.9 1.0 C10 A:HKL158 4.4 10.8 1.0 C22 A:HKL158 4.8 18.0 1.0 CG2 A:VAL68 5.0 7.8 1.0

J.Yi, D.M.Copeland, A.H.West, G.B.Richter-Addo. Cyanide Bound Chlorin Substituted Myoglobin To Be Published.