Iron in PDB 6vp5: Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG

All present enzymatic activity of Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG:
1.13.12.19; 1.14.20.7;

The structure of Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG, PDB code: 6vp5 was solved by K.M.Davis, R.A.Copeland, A.K.Boal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.52 / 1.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.542, 78.5, 195.492, 90, 92.34, 90
R / Rfree (%)	17.4 / 20.7

The binding sites of Iron atom in the Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG (pdb code 6vp5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG, PDB code: 6vp5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:11.6 occ:1.00 O1 A:AKG402 2.0 22.0 1.0 NE2 A:HIS189 2.1 9.7 1.0 OE2 A:GLU191 2.1 14.4 0.5 OE1 A:GLU191 2.1 16.3 0.5 NE2 A:HIS268 2.2 12.5 1.0 O5 A:AKG402 2.3 24.1 1.0 OE2 A:GLU191 2.6 18.4 0.5 CD A:GLU191 2.7 15.3 0.5 C1 A:AKG402 2.8 25.9 1.0 C2 A:AKG402 3.0 26.9 1.0 CE1 A:HIS189 3.0 10.9 1.0 CD2 A:HIS268 3.1 8.1 1.0 CD A:GLU191 3.2 16.0 0.5 CD2 A:HIS189 3.2 9.8 1.0 CE1 A:HIS268 3.2 11.0 1.0 CG A:GLU191 3.5 14.1 0.5 O2 A:AKG402 4.0 24.6 1.0 ND1 A:HIS189 4.1 11.0 1.0 CG A:GLU191 4.2 12.8 0.5 CD A:ARG403 4.2 15.0 1.0 CG A:HIS189 4.3 8.5 1.0 CG A:HIS268 4.3 7.0 1.0 OE1 A:GLU191 4.3 15.0 0.5 ND1 A:HIS268 4.3 9.9 1.0 C3 A:AKG402 4.4 18.0 1.0 CE1 A:PHE283 4.8 13.0 1.0 CZ A:PHE283 4.9 11.4 1.0 CB A:GLU191 4.9 12.9 0.5 CG A:ARG403 4.9 12.7 1.0 NH2 A:ARG403 4.9 14.1 1.0 CB A:GLU191 5.0 12.9 0.5

Iron binding site 2 out of 4 in the Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:10.3 occ:1.00 O2 B:AKG402 2.0 20.2 1.0 OE2 B:GLU191 2.0 10.2 0.5 OE1 B:GLU191 2.1 12.7 0.5 NE2 B:HIS189 2.1 7.0 1.0 NE2 B:HIS268 2.2 10.9 1.0 O5 B:AKG402 2.3 20.4 1.0 CD B:GLU191 2.7 13.4 0.5 OE2 B:GLU191 2.7 15.0 0.5 C1 B:AKG402 2.8 23.4 1.0 C2 B:AKG402 3.0 25.7 1.0 CD2 B:HIS268 3.1 7.7 1.0 CE1 B:HIS189 3.1 12.7 1.0 CD B:GLU191 3.1 13.8 0.5 CD2 B:HIS189 3.1 9.5 1.0 CE1 B:HIS268 3.3 10.8 1.0 CG B:GLU191 3.5 11.3 0.5 O1 B:AKG402 4.0 26.3 1.0 CD B:ARG403 4.1 11.2 1.0 ND1 B:HIS189 4.2 8.6 1.0 OE1 B:GLU191 4.2 14.0 0.5 CG B:GLU191 4.2 11.3 0.5 CG B:HIS189 4.2 8.8 1.0 CG B:HIS268 4.2 5.9 1.0 ND1 B:HIS268 4.3 7.1 1.0 C3 B:AKG402 4.4 17.5 1.0 CE1 B:PHE283 4.8 11.9 1.0 CG B:ARG403 4.8 12.2 1.0 CB B:GLU191 4.8 12.4 0.5 NH1 B:ARG403 4.9 17.0 1.0 CB B:GLU191 4.9 12.5 0.5 CZ B:PHE283 5.0 12.4 1.0

Iron binding site 3 out of 4 in the Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:15.2 occ:1.00 OE2 C:GLU191 1.9 14.7 0.5 OE1 C:GLU191 2.1 15.6 0.6 O2 C:AKG402 2.1 29.3 1.0 NE2 C:HIS189 2.2 13.4 1.0 NE2 C:HIS268 2.2 13.3 1.0 O5 C:AKG402 2.3 24.5 1.0 OE2 C:GLU191 2.4 16.1 0.6 CD C:GLU191 2.5 15.5 0.6 C1 C:AKG402 2.9 23.3 1.0 CD C:GLU191 3.0 15.5 0.5 C2 C:AKG402 3.0 30.6 1.0 CE1 C:HIS189 3.0 10.9 1.0 CD2 C:HIS268 3.1 11.1 1.0 CD2 C:HIS189 3.2 11.4 1.0 CE1 C:HIS268 3.2 13.4 1.0 CG C:GLU191 3.5 14.6 0.5 OE1 C:GLU191 4.0 14.4 0.5 CG C:GLU191 4.0 16.6 0.6 O1 C:AKG402 4.1 26.4 1.0 ND1 C:HIS189 4.2 13.8 1.0 CG C:HIS268 4.2 11.5 1.0 CD C:ARG403 4.2 15.1 1.0 ND1 C:HIS268 4.3 10.0 1.0 CG C:HIS189 4.3 11.7 1.0 C3 C:AKG402 4.5 20.4 1.0 CB C:GLU191 4.7 16.2 0.6 CE1 C:PHE283 4.8 15.8 1.0 CZ C:PHE283 4.9 15.4 1.0 CG C:ARG403 4.9 16.3 1.0 CB C:GLU191 4.9 15.6 0.5 NH1 C:ARG403 4.9 19.4 1.0

Iron binding site 4 out of 4 in the Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ethylene Forming Enzyme (Efe) D191E Variant in Complex with Fe(II), L- Arginine, and 2OG within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe401 b:9.7 occ:1.00 OE2 D:GLU191 1.9 11.4 0.5 OE1 D:GLU191 2.0 10.8 0.5 O1 D:AKG402 2.0 25.0 1.0 NE2 D:HIS189 2.2 8.1 1.0 NE2 D:HIS268 2.2 11.7 1.0 O5 D:AKG402 2.3 24.6 1.0 OE2 D:GLU191 2.5 13.3 0.5 CD D:GLU191 2.6 13.7 0.5 C1 D:AKG402 2.9 23.0 1.0 C2 D:AKG402 3.0 24.6 1.0 CD D:GLU191 3.0 13.8 0.5 CE1 D:HIS189 3.1 12.8 1.0 CD2 D:HIS268 3.1 9.2 1.0 CD2 D:HIS189 3.2 10.7 1.0 CE1 D:HIS268 3.2 11.1 1.0 CG D:GLU191 3.5 11.4 0.5 O2 D:AKG402 4.0 20.9 1.0 CG D:GLU191 4.1 12.0 0.5 OE1 D:GLU191 4.1 13.2 0.5 ND1 D:HIS189 4.2 10.5 1.0 CD D:ARG403 4.3 13.6 1.0 CG D:HIS268 4.3 7.0 1.0 CG D:HIS189 4.3 10.2 1.0 ND1 D:HIS268 4.3 8.8 1.0 C3 D:AKG402 4.4 22.5 1.0 CE2 D:PHE283 4.7 16.1 1.0 CB D:GLU191 4.7 12.3 0.5 NH2 D:ARG403 4.9 13.5 1.0 CZ D:PHE283 4.9 11.6 1.0 CB D:GLU191 4.9 12.3 0.5 CG D:ARG403 5.0 10.6 1.0

R.A.Copeland, K.M.Davis, T.K.C.Shoda, E.J.Blaesi, A.K.Boal, C.Krebs, J.M.Bollinger Jr.. An Iron(IV)-Oxo Intermediate Initiating L-Arginine Oxidation But Not Ethylene Production By the 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme To Be Published.