Nickel in PDB 8uc2: Ethylene Forming Enzyme (Efe) R171A Variant in Complex with Nickel and Benzoic Acid

The structure of Ethylene Forming Enzyme (Efe) R171A Variant in Complex with Nickel and Benzoic Acid, PDB code: 8uc2 was solved by S.Chatterjee, J.A.Rankin, J.Hu, R.Hausinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.03 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.109, 97.49, 98.04, 90, 90, 90
R / Rfree (%)	16.9 / 18.6

The structure of Ethylene Forming Enzyme (Efe) R171A Variant in Complex with Nickel and Benzoic Acid also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Nickel atom in the Ethylene Forming Enzyme (Efe) R171A Variant in Complex with Nickel and Benzoic Acid (pdb code 8uc2). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Ethylene Forming Enzyme (Efe) R171A Variant in Complex with Nickel and Benzoic Acid, PDB code: 8uc2:

Nickel binding site 1 out of 1 in the Ethylene Forming Enzyme (Efe) R171A Variant in Complex with Nickel and Benzoic Acid


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Ethylene Forming Enzyme (Efe) R171A Variant in Complex with Nickel and Benzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni402 b:38.0 occ:0.40 O A:HOH517 2.4 31.8 1.0 NE2 A:HIS268 2.8 16.4 1.0 O A:HOH874 2.9 41.6 1.0 NE2 A:HIS189 3.1 16.7 1.0 CE1 A:HIS268 3.7 13.8 1.0 C4 A:BEZ401 3.8 15.0 1.0 CD2 A:HIS268 3.9 15.5 1.0 CE1 A:PHE283 3.9 14.4 1.0 CD2 A:HIS189 4.0 16.6 1.0 C5 A:BEZ401 4.0 14.8 1.0 CZ A:PHE283 4.0 18.4 1.0 CE1 A:HIS189 4.1 19.9 1.0 CB A:ASP191 4.2 13.6 1.0 OD1 A:ASP191 4.2 26.5 1.0 CA A:ASP191 4.5 14.6 1.0 O A:HOH962 4.6 43.9 1.0 CG A:ASP191 4.7 23.7 1.0 ND1 A:HIS268 4.9 12.1 1.0 N A:ASP191 5.0 12.8 1.0

S.Chatterjee, J.A.Rankin, J.Hu, R.Hausinger. Ethylene Forming Enzyme (Efe) R171A Variant in Complex with Nickel and Benzoic Acid To Be Published.