Magnesium in PDB 7wux: Crystal Structure of AZIU3/U2 Complexed with (5S,6S)-O7-Sulfo Dadh From Streptomyces Sahachiroi

The structure of Crystal Structure of AZIU3/U2 Complexed with (5S,6S)-O7-Sulfo Dadh From Streptomyces Sahachiroi, PDB code: 7wux was solved by S.Kurosawa, A.Yoshida, T.Tomita, M.Nishiyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.87 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.872, 131.756, 157.702, 90, 90, 90
R / Rfree (%)	16.4 / 19.3

The binding sites of Magnesium atom in the Crystal Structure of AZIU3/U2 Complexed with (5S,6S)-O7-Sulfo Dadh From Streptomyces Sahachiroi (pdb code 7wux). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of AZIU3/U2 Complexed with (5S,6S)-O7-Sulfo Dadh From Streptomyces Sahachiroi, PDB code: 7wux:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of AZIU3/U2 Complexed with (5S,6S)-O7-Sulfo Dadh From Streptomyces Sahachiroi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of AZIU3/U2 Complexed with (5S,6S)-O7-Sulfo Dadh From Streptomyces Sahachiroi within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg403 b:16.9 occ:1.00 O C:HOH585 2.0 15.9 1.0 O C:HOH528 2.0 17.6 1.0 O C:HOH703 2.1 18.1 1.0 O C:HOH708 2.1 20.2 1.0 O C:HOH861 2.1 23.2 1.0 O C:HOH695 2.2 21.9 1.0 HA2 C:GLY66 3.8 13.9 1.0 O C:HIS72 3.9 15.2 1.0 O C:GLY66 4.0 13.8 1.0 HA3 C:GLY66 4.0 13.9 1.0 OD2 C:ASP62 4.0 20.2 1.0 HA C:LEU70 4.1 16.5 1.0 O C:LEU70 4.2 16.3 1.0 CA C:GLY66 4.3 13.9 1.0 O C:HOH748 4.3 41.7 1.0 O C:HOH649 4.3 36.8 1.0 O C:HOH520 4.3 28.6 1.0 O C:PHE74 4.3 17.1 1.0 O C:HOH679 4.3 25.0 1.0 O C:HOH507 4.4 37.4 1.0 C C:GLY66 4.4 13.8 1.0 HA C:PRO73 4.5 16.2 1.0 H C:PHE74 4.5 16.8 1.0 HD11 C:LEU70 4.5 19.0 1.0 O C:ALA69 4.8 15.0 1.0 HB3 C:ASP62 4.8 17.5 1.0 C C:LEU70 4.8 16.2 1.0 CA C:LEU70 4.9 16.5 1.0 HG2 C:GLU75 5.0 23.2 1.0 C C:HIS72 5.0 15.7 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of AZIU3/U2 Complexed with (5S,6S)-O7-Sulfo Dadh From Streptomyces Sahachiroi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of AZIU3/U2 Complexed with (5S,6S)-O7-Sulfo Dadh From Streptomyces Sahachiroi within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg404 b:39.6 occ:1.00 O C:HOH724 2.0 22.3 1.0 O C:HOH634 2.2 23.0 1.0 O C:HOH505 2.2 32.4 1.0 O C:HOH836 2.3 34.8 1.0 HD3 C:ARG192 3.4 23.5 1.0 HA C:VAL335 3.9 23.6 1.0 O C:SER336 4.1 29.2 1.0 O C:HOH637 4.1 37.4 1.0 O C:ALA334 4.1 20.6 1.0 O C:VAL335 4.1 25.2 1.0 O C:HOH557 4.1 33.5 1.0 O C:HOH821 4.2 30.6 1.0 CD C:ARG192 4.3 23.5 1.0 C C:VAL335 4.4 24.9 1.0 HD2 C:ARG192 4.5 23.5 1.0 CA C:VAL335 4.6 23.6 1.0 HE C:ARG192 4.7 24.8 1.0 HB3 C:ARG192 4.7 21.0 1.0 NE C:ARG192 4.9 24.9 1.0 C C:ALA334 5.0 21.2 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of AZIU3/U2 Complexed with (5S,6S)-O7-Sulfo Dadh From Streptomyces Sahachiroi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of AZIU3/U2 Complexed with (5S,6S)-O7-Sulfo Dadh From Streptomyces Sahachiroi within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg402 b:23.5 occ:1.00 O D:HOH527 2.0 24.4 1.0 O D:HOH558 2.1 23.1 1.0 O D:HOH823 2.1 30.0 1.0 O D:HOH585 2.1 21.1 1.0 O D:HOH666 2.1 24.4 1.0 O D:HOH677 2.1 24.2 1.0 HA2 D:GLY66 3.8 17.4 1.0 O D:HIS72 3.9 20.7 1.0 O D:GLY66 4.1 16.9 1.0 O D:LEU70 4.1 21.4 1.0 OD2 D:ASP62 4.1 24.1 1.0 HA3 D:GLY66 4.1 17.4 1.0 HA D:LEU70 4.1 20.6 1.0 O D:HOH526 4.2 30.9 1.0 O D:HOH744 4.2 27.9 1.0 CA D:GLY66 4.3 17.4 1.0 O D:PHE74 4.3 23.2 1.0 O D:HOH534 4.4 43.6 1.0 HD11 D:LEU70 4.4 22.4 1.0 C D:GLY66 4.5 17.1 1.0 O D:HOH670 4.5 38.8 1.0 HA D:PRO73 4.5 22.7 1.0 H D:PHE74 4.5 23.1 1.0 O D:ALA69 4.7 19.6 1.0 HB3 D:ASP62 4.8 21.8 1.0 C D:LEU70 4.8 20.9 1.0 CA D:LEU70 4.9 20.6 1.0

S.Kurosawa, F.Hasebe, H.Okamura, A.Yoshida, K.Matsuda, Y.Sone, T.Tomita, T.Shinada, H.Takikawa, T.Kuzuyama, S.Kosono, M.Nishiyama. Molecular Basis For Enzymatic Aziridine Formation Via Sulfate Elimination. J.Am.Chem.Soc. V. 144 16164 2022.
ISSN: ESSN 1520-5126
PubMed: 35998388
DOI: 10.1021/JACS.2C07243