Magnesium in PDB 4zd6: Halohydrin Hydrogen-Halide-Lyase, Hheb

The structure of Halohydrin Hydrogen-Halide-Lyase, Hheb, PDB code: 4zd6 was solved by F.Watanabe, F.Yu, A.Ohtaki, Y.Yamanaka, K.Noguchi, M.Yohda, M.Odaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.31 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	121.484, 216.380, 104.517, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.7

The structure of Halohydrin Hydrogen-Halide-Lyase, Hheb also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Magnesium atom in the Halohydrin Hydrogen-Halide-Lyase, Hheb (pdb code 4zd6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Halohydrin Hydrogen-Halide-Lyase, Hheb, PDB code: 4zd6:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Halohydrin Hydrogen-Halide-Lyase, Hheb


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Halohydrin Hydrogen-Halide-Lyase, Hheb within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg301 b:19.3 occ:1.00 O B:HOH498 2.2 36.2 1.0 OE2 B:GLU107 4.1 35.4 1.0 OE1 B:GLU107 4.4 32.6 1.0 CD B:GLU107 4.7 31.3 1.0

Magnesium binding site 2 out of 3 in the Halohydrin Hydrogen-Halide-Lyase, Hheb


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Halohydrin Hydrogen-Halide-Lyase, Hheb within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg303 b:19.0 occ:1.00 O A:HOH434 2.0 24.5 1.0 O E:HOH427 2.0 19.1 1.0 O A:HOH554 2.1 27.3 1.0 O E:HOH519 2.1 24.5 1.0 O E:HOH607 2.2 25.9 1.0 O E:HOH489 2.3 25.4 1.0 O B:HOH417 4.0 26.9 1.0 OE1 E:GLU81 4.1 18.6 1.0 O E:HOH539 4.1 18.4 1.0 O B:HOH569 4.1 22.6 1.0 O E:HOH613 4.2 22.1 1.0 O F:HOH548 4.4 37.3 1.0 OE2 E:GLU81 4.4 20.3 1.0 OD2 A:ASP212 4.5 18.2 1.0 OD2 E:ASP79 4.6 20.5 1.0 O F:HOH537 4.6 18.3 1.0 CB E:ASP79 4.6 15.5 1.0 CD E:GLU81 4.7 17.8 1.0 CB A:ASP209 4.8 15.4 1.0 OD2 A:ASP209 4.9 24.5 1.0 NH2 B:ARG197 4.9 16.9 1.0 CG A:ASP209 5.0 20.6 1.0

Magnesium binding site 3 out of 3 in the Halohydrin Hydrogen-Halide-Lyase, Hheb


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Halohydrin Hydrogen-Halide-Lyase, Hheb within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg304 b:13.4 occ:0.65 O E:HOH543 2.2 20.1 1.0 O E:ARG54 2.3 16.0 1.0 O E:HOH452 2.4 20.9 1.0 O E:HOH476 2.5 20.7 0.5 C E:ARG54 3.4 16.5 1.0 CA E:ARG54 4.1 15.4 1.0 O E:HOH450 4.3 23.4 1.0 C E:ALA55 4.4 17.7 1.0 N E:ALA55 4.5 14.5 1.0 O E:ALA55 4.5 19.9 1.0 N E:GLY56 4.5 17.2 1.0 CG E:ARG54 4.6 23.0 1.0 CA E:ALA55 4.7 16.1 1.0 O E:GLU53 4.7 19.1 1.0 O E:HOH466 4.9 28.2 1.0 O E:HOH575 4.9 18.0 1.0 CB E:ARG54 5.0 18.4 1.0 CA E:GLY56 5.0 19.9 1.0

F.Watanabe, F.Yu, A.Ohtaki, Y.Yamanaka, K.Noguchi, M.Yohda, M.Odaka. Crystal Structures of Halohydrin Hydrogen-Halide-Lyases From Corynebacterium Sp. N-1074 Proteins V. 83 2230 2015.
ISSN: ESSN 1097-0134
PubMed: 26422370
DOI: 10.1002/PROT.24938