Iron in PDB 8qbc: Reactive Amide Intermediate in Sperm Whale Myoglobin Mutant H64V V68A

The structure of Reactive Amide Intermediate in Sperm Whale Myoglobin Mutant H64V V68A, PDB code: 8qbc was solved by M.Tinzl, P.R.E.Mittl, D.Hilvert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.10 / 1.23
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.842, 47.157, 76.241, 90, 90, 90
R / Rfree (%)	14.5 / 18

The binding sites of Iron atom in the Reactive Amide Intermediate in Sperm Whale Myoglobin Mutant H64V V68A (pdb code 8qbc). 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 Reactive Amide Intermediate in Sperm Whale Myoglobin Mutant H64V V68A, PDB code: 8qbc:

Iron binding site 1 out of 1 in the Reactive Amide Intermediate in Sperm Whale Myoglobin Mutant H64V V68A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Reactive Amide Intermediate in Sperm Whale Myoglobin Mutant H64V V68A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:11.1 occ:1.00 FE A:HEM203 0.0 11.1 1.0 N A:GEE204 2.0 12.0 1.0 ND A:HEM203 2.0 11.0 1.0 NC A:HEM203 2.0 10.9 1.0 NB A:HEM203 2.0 10.8 1.0 NA A:HEM203 2.0 11.3 1.0 NE2 A:HIS93 2.1 11.3 1.0 CA A:GEE204 3.0 12.9 1.0 C1C A:HEM203 3.0 10.8 1.0 C1D A:HEM203 3.0 12.1 1.0 C4B A:HEM203 3.0 11.0 1.0 C4C A:HEM203 3.0 10.7 1.0 C4D A:HEM203 3.0 11.8 1.0 C1B A:HEM203 3.0 10.4 1.0 C4A A:HEM203 3.0 11.3 1.0 CE1 A:HIS93 3.1 12.8 1.0 C1A A:HEM203 3.1 11.5 1.0 CD2 A:HIS93 3.1 11.6 1.0 CHD A:HEM203 3.4 11.4 1.0 CHC A:HEM203 3.4 10.6 1.0 CHB A:HEM203 3.4 10.7 1.0 CHA A:HEM203 3.4 12.2 1.0 ND1 A:HIS93 4.2 12.6 1.0 CG A:HIS93 4.2 12.3 1.0 C2C A:HEM203 4.2 11.3 1.0 C2D A:HEM203 4.2 11.9 1.0 C3C A:HEM203 4.2 11.3 1.0 C3B A:HEM203 4.3 11.7 1.0 C2B A:HEM203 4.3 11.1 1.0 C3D A:HEM203 4.3 12.0 1.0 C3A A:HEM203 4.3 11.6 1.0 C2A A:HEM203 4.3 11.7 1.0 C A:GEE204 4.3 13.8 1.0 O A:GEE204 4.8 14.3 1.0 CB A:ALA68 4.8 11.0 1.0 CD2 A:HIS97 5.0 17.9 1.0

M.Tinzl, J.V.Diedrich, M.Clemancy, P.R.E.Mittl, M.Reiher, J.Proppe, J.M.Latour, D.Hilvert. Myoglobin-Catalyzed Azide Reduction Proceeds Via An Anionic Metal Amide Intermediate To Be Published.