Magnesium in PDB 1jgt: Crystal Structure of Beta-Lactam Synthetase

The structure of Crystal Structure of Beta-Lactam Synthetase, PDB code: 1jgt was solved by M.T.Miller, B.O.Bachmann, C.A.Townsend, A.C.Rosenzweig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.89 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.352, 97.873, 80.969, 90.00, 90.78, 90.00
R / Rfree (%)	19.5 / 22.8

The binding sites of Magnesium atom in the Crystal Structure of Beta-Lactam Synthetase (pdb code 1jgt). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Beta-Lactam Synthetase, PDB code: 1jgt:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Beta-Lactam Synthetase


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 Beta-Lactam Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:42.4 occ:1.00 OD2 A:ASP253 2.1 26.4 1.0 O2B A:APC801 2.1 37.8 1.0 O A:HOH922 2.2 26.6 1.0 O1A A:APC801 2.2 40.6 1.0 OD1 A:ASP351 2.2 28.0 1.0 O1G A:APC801 2.4 36.1 1.0 CG A:ASP253 3.2 23.4 1.0 PB A:APC801 3.2 35.3 1.0 CG A:ASP351 3.2 26.6 1.0 PA A:APC801 3.3 40.3 1.0 PG A:APC801 3.5 35.1 1.0 NZ A:LYS443 3.6 42.7 1.0 O3B A:APC801 3.7 35.9 1.0 OD2 A:ASP351 3.7 28.4 1.0 O5' A:APC801 3.7 41.9 1.0 C3A A:APC801 3.7 38.6 1.0 CB A:ASP253 3.8 21.3 1.0 NZ A:LYS423 4.1 23.2 1.0 O A:CMA803 4.1 46.3 1.0 O2G A:APC801 4.2 35.7 1.0 OD1 A:ASP253 4.3 22.6 1.0 O A:GLY347 4.3 19.5 1.0 N A:CMA803 4.4 52.1 1.0 CB A:ASP351 4.5 22.6 1.0 O2 A:CMA803 4.5 61.2 1.0 O2A A:APC801 4.5 41.4 1.0 C A:CMA803 4.5 47.9 1.0 O1B A:APC801 4.5 37.6 1.0 N A:ASP351 4.6 18.5 1.0 C5' A:APC801 4.6 39.4 1.0 O3' A:APC801 4.7 34.3 1.0 O3G A:APC801 4.8 38.8 1.0 CB A:ALA350 4.9 19.6 1.0 CE A:LYS443 4.9 42.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Beta-Lactam Synthetase


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 Beta-Lactam Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg901 b:39.9 occ:1.00 OD1 B:ASP253 2.0 30.3 1.0 O2G B:APC802 2.0 42.9 1.0 O2B B:APC802 2.1 45.3 1.0 O1A B:APC802 2.2 45.4 1.0 O B:HOH986 2.4 26.7 1.0 OD1 B:ASP351 2.5 24.9 1.0 PB B:APC802 3.1 45.0 1.0 CG B:ASP253 3.1 29.9 1.0 PG B:APC802 3.2 43.9 1.0 PA B:APC802 3.3 45.4 1.0 O3B B:APC802 3.4 45.8 1.0 CG B:ASP351 3.4 23.3 1.0 C3A B:APC802 3.6 45.5 1.0 CB B:ASP253 3.8 26.1 1.0 O5' B:APC802 3.8 45.7 1.0 OD2 B:ASP351 3.8 25.1 1.0 NZ B:LYS423 3.9 22.4 1.0 O B:CMA804 4.0 28.8 1.0 O3G B:APC802 4.0 43.0 1.0 OD2 B:ASP253 4.2 30.1 1.0 CE B:LYS443 4.3 48.1 1.0 O1G B:APC802 4.4 43.6 1.0 N B:CMA804 4.4 36.5 1.0 NZ B:LYS443 4.4 47.9 1.0 O1B B:APC802 4.5 44.5 1.0 C B:CMA804 4.5 32.2 1.0 O B:GLY347 4.5 16.9 1.0 O2A B:APC802 4.5 45.5 1.0 CB B:ASP351 4.6 19.5 1.0 C5' B:APC802 4.7 41.4 1.0 O3' B:APC802 4.7 33.3 1.0 N B:ASP351 4.8 18.3 1.0 C2 B:CMA804 4.8 44.5 1.0 C1 B:CMA804 5.0 41.1 1.0 OXT B:CMA804 5.0 28.6 1.0

M.T.Miller, B.O.Bachmann, C.A.Townsend, A.C.Rosenzweig. Structure of Beta-Lactam Synthetase Reveals How to Synthesize Antibiotics Instead of Asparagine. Nat.Struct.Biol. V. 8 684 2001.
ISSN: ISSN 1072-8368
PubMed: 11473258
DOI: 10.1038/90394