Chlorine in PDB 9eis: Ethylene Forming Enzyme in Complex with Manganese and 2-Oxoglutarate From Penicillium Digitatum

The structure of Ethylene Forming Enzyme in Complex with Manganese and 2-Oxoglutarate From Penicillium Digitatum, PDB code: 9eis was solved by S.Chatterjee, J.A.Rankin, M.A.Farrugia, J.Hu, R.P.Hausinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.85 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.159, 117.4, 140.74, 90, 90, 90
R / Rfree (%)	25 / 28.7

The structure of Ethylene Forming Enzyme in Complex with Manganese and 2-Oxoglutarate From Penicillium Digitatum also contains other interesting chemical elements:

Manganese

(Mn)

4 atoms

The binding sites of Chlorine atom in the Ethylene Forming Enzyme in Complex with Manganese and 2-Oxoglutarate From Penicillium Digitatum (pdb code 9eis). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ethylene Forming Enzyme in Complex with Manganese and 2-Oxoglutarate From Penicillium Digitatum, PDB code: 9eis:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ethylene Forming Enzyme in Complex with Manganese and 2-Oxoglutarate From Penicillium Digitatum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ethylene Forming Enzyme in Complex with Manganese and 2-Oxoglutarate From Penicillium Digitatum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:42.2 occ:0.70 O B:TYR132 2.7 32.9 1.0 OG1 B:THR154 3.5 35.6 1.0 NH2 B:ARG228 3.5 35.7 1.0 NH1 B:ARG384 3.9 26.4 1.0 CB B:THR154 3.9 28.4 1.0 C B:TYR132 3.9 27.6 1.0 CZ B:ARG384 4.0 32.5 1.0 CE2 B:TYR381 4.1 36.5 1.0 CE2 B:PHE377 4.2 30.7 1.0 O B:GLY134 4.3 22.6 1.0 CZ B:TYR381 4.3 38.4 1.0 NE B:ARG384 4.3 30.5 1.0 CG2 B:ILE136 4.4 30.9 1.0 NH2 B:ARG384 4.4 32.2 1.0 CD2 B:TYR381 4.4 35.3 1.0 CD B:ARG384 4.6 25.7 1.0 CE1 B:TYR381 4.6 36.6 1.0 N B:GLY134 4.7 30.9 1.0 CB B:TYR132 4.7 24.2 1.0 OH B:TYR381 4.7 41.4 1.0 CD2 B:PHE377 4.7 31.7 1.0 CG2 B:THR154 4.7 28.6 1.0 C B:ALA133 4.7 27.6 1.0 CG B:TYR381 4.8 38.2 1.0 CA B:TYR132 4.8 23.0 1.0 CZ B:ARG228 4.8 38.8 1.0 C B:GLY134 4.8 26.5 1.0 CD1 B:TYR381 4.9 38.4 1.0 N B:ALA133 4.9 27.1 1.0 CA B:ALA133 4.9 29.2 1.0 CB B:ILE136 4.9 29.2 1.0

Chlorine binding site 2 out of 2 in the Ethylene Forming Enzyme in Complex with Manganese and 2-Oxoglutarate From Penicillium Digitatum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ethylene Forming Enzyme in Complex with Manganese and 2-Oxoglutarate From Penicillium Digitatum within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl503 b:41.5 occ:0.70 O C:TYR132 2.5 25.9 1.0 OG1 C:THR154 3.4 33.3 1.0 C C:TYR132 3.7 27.3 1.0 NE C:ARG384 3.8 23.4 1.0 CG1 C:ILE136 3.8 36.6 1.0 CB C:THR154 3.9 27.3 1.0 CZ C:ARG384 3.9 29.9 1.0 NH2 C:ARG384 4.1 28.4 1.0 CE2 C:PHE377 4.1 27.1 1.0 CB C:TYR132 4.2 25.3 1.0 CD C:ARG384 4.3 24.1 1.0 CA C:TYR132 4.3 29.5 1.0 CE2 C:TYR381 4.3 38.5 1.0 CD2 C:PHE377 4.4 29.4 1.0 NH1 C:ARG384 4.4 30.6 1.0 CD2 C:TYR381 4.4 36.1 1.0 NH2 C:ARG228 4.4 37.4 1.0 CZ C:TYR381 4.5 40.4 1.0 CG2 C:THR154 4.5 30.2 1.0 CD1 C:TYR132 4.6 27.6 1.0 CG C:TYR381 4.7 35.8 1.0 N C:ALA133 4.8 24.5 1.0 CE1 C:TYR381 4.8 39.9 1.0 CG C:TYR132 4.9 24.5 1.0 CD1 C:TYR381 4.9 36.8 1.0 C C:ALA133 4.9 25.1 1.0 CA C:ALA133 5.0 23.6 1.0 N C:GLY134 5.0 25.8 1.0

S.Chatterjee, J.A.Rankin, M.A.Farrugia, S.B.J S Rifayee, C.Z.Christov, J.Hu, R.P.Hausinger. Biochemical, Structural, and Conformational Characterization of A Fungal Ethylene-Forming Enzyme. Biochemistry 2025.
ISSN: ISSN 0006-2960
PubMed: 40052306
DOI: 10.1021/ACS.BIOCHEM.5C00038