Iron in PDB 8bkn: Carboxymyoglobin Dark State For Comparison with 5 Mj/CM2 Time Series

The structure of Carboxymyoglobin Dark State For Comparison with 5 Mj/CM2 Time Series, PDB code: 8bkn was solved by T.Barends, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.12 / 1.29
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63, 28.4, 35.3, 90, 107, 90
R / Rfree (%)	17.6 / 21

The binding sites of Iron atom in the Carboxymyoglobin Dark State For Comparison with 5 Mj/CM2 Time Series (pdb code 8bkn). 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 Carboxymyoglobin Dark State For Comparison with 5 Mj/CM2 Time Series, PDB code: 8bkn:

Iron binding site 1 out of 1 in the Carboxymyoglobin Dark State For Comparison with 5 Mj/CM2 Time Series


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Carboxymyoglobin Dark State For Comparison with 5 Mj/CM2 Time Series within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:8.8 occ:0.99 FE A:HEM201 0.0 8.8 1.0 C A:CMO204 1.7 9.3 0.9 ND A:HEM201 1.9 10.6 1.0 NA A:HEM201 2.0 8.5 1.0 NE2 A:HIS93 2.0 8.6 1.0 NC A:HEM201 2.0 8.7 1.0 NB A:HEM201 2.0 8.8 1.0 O A:CMO204 2.9 14.8 0.9 C1D A:HEM201 2.9 10.1 1.0 C4D A:HEM201 3.0 10.7 1.0 CE1 A:HIS93 3.0 9.6 1.0 C1A A:HEM201 3.0 8.8 1.0 C4B A:HEM201 3.0 8.8 1.0 C4C A:HEM201 3.0 9.3 1.0 C4A A:HEM201 3.0 8.9 1.0 C1B A:HEM201 3.0 9.1 1.0 C1C A:HEM201 3.0 9.2 1.0 CD2 A:HIS93 3.0 8.0 1.0 CHD A:HEM201 3.4 10.6 1.0 CHA A:HEM201 3.4 11.0 1.0 CHC A:HEM201 3.4 8.8 1.0 CHB A:HEM201 3.4 8.7 1.0 ND1 A:HIS93 4.1 10.0 1.0 CG A:HIS93 4.2 9.0 1.0 C2A A:HEM201 4.2 8.3 1.0 C3C A:HEM201 4.2 8.8 1.0 C2D A:HEM201 4.2 9.8 1.0 C3D A:HEM201 4.2 12.1 1.0 C3A A:HEM201 4.2 9.2 1.0 C2B A:HEM201 4.2 8.4 1.0 C2C A:HEM201 4.2 9.8 1.0 C3B A:HEM201 4.2 9.8 1.0 NE2 A:HIS64 4.5 17.5 1.0 CG2 A:VAL68 4.6 11.8 1.0

T.Barends, I.Schlichting. Carboxymyoglobin Photolysis Power Titration, 6 Mj/CM2 Fluence, Difference Refined To Be Published.