Iron in PDB 8qba: Sperm Whale Myoblogin Mutant H64V V68A in Complex with Glycine Ethyl Ester

The structure of Sperm Whale Myoblogin Mutant H64V V68A in Complex with Glycine Ethyl Ester, PDB code: 8qba 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)	38.70 / 1.39
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.932, 47.759, 77.442, 90, 90, 90
R / Rfree (%)	14.6 / 19.9

The binding sites of Iron atom in the Sperm Whale Myoblogin Mutant H64V V68A in Complex with Glycine Ethyl Ester (pdb code 8qba). 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 Sperm Whale Myoblogin Mutant H64V V68A in Complex with Glycine Ethyl Ester, PDB code: 8qba:

Iron binding site 1 out of 1 in the Sperm Whale Myoblogin Mutant H64V V68A in Complex with Glycine Ethyl Ester


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sperm Whale Myoblogin Mutant H64V V68A in Complex with Glycine Ethyl Ester within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:17.4 occ:1.00 FE A:HEM202 0.0 17.4 1.0 ND A:HEM202 2.0 19.1 1.0 NB A:HEM202 2.0 17.7 1.0 NC A:HEM202 2.0 16.6 1.0 NA A:HEM202 2.0 17.9 1.0 NE2 A:HIS93 2.1 16.5 1.0 N A:GEE203 2.3 20.3 1.0 C1D A:HEM202 3.0 19.5 1.0 C4C A:HEM202 3.1 17.3 1.0 C4D A:HEM202 3.1 21.3 1.0 C4B A:HEM202 3.1 18.4 1.0 C4A A:HEM202 3.1 18.4 1.0 C1A A:HEM202 3.1 18.8 1.0 C1B A:HEM202 3.1 17.2 1.0 C1C A:HEM202 3.1 18.0 1.0 CE1 A:HIS93 3.1 17.7 1.0 CD2 A:HIS93 3.1 18.6 1.0 CA A:GEE203 3.1 21.9 1.0 CHD A:HEM202 3.4 17.5 1.0 CHB A:HEM202 3.4 17.1 1.0 CHC A:HEM202 3.4 17.9 1.0 CHA A:HEM202 3.4 19.8 1.0 ND1 A:HIS93 4.2 20.3 1.0 C2D A:HEM202 4.3 20.8 1.0 CG A:HIS93 4.3 19.6 1.0 C3D A:HEM202 4.3 22.6 1.0 C2A A:HEM202 4.3 20.8 1.0 C3C A:HEM202 4.3 17.6 1.0 C3A A:HEM202 4.3 18.9 1.0 C2B A:HEM202 4.3 17.7 1.0 C2C A:HEM202 4.3 16.7 1.0 C3B A:HEM202 4.3 17.6 1.0 C A:GEE203 4.5 22.2 1.0 O A:GEE203 4.9 23.4 1.0 CB A:ALA68 4.9 17.0 1.0 CD2 A:HIS97 4.9 26.4 1.0

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