Magnesium in PDB 1q19: Carbapenam Synthetase

The structure of Carbapenam Synthetase, PDB code: 1q19 was solved by M.T.Miller, B.Gerratana, A.Stapon, 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)	49.83 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	103.042, 61.951, 175.870, 90.00, 97.01, 90.00
R / Rfree (%)	22 / 27.3

The binding sites of Magnesium atom in the Carbapenam Synthetase (pdb code 1q19). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Carbapenam Synthetase, PDB code: 1q19:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Carbapenam Synthetase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Carbapenam Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:20.3 occ:1.00 O A:ILE444 2.0 33.3 1.0 O A:HOH507 2.1 23.1 1.0 O3G A:APC505 2.3 33.2 1.0 O3B A:APC505 2.4 39.2 1.0 O2A A:APC505 2.5 38.0 1.0 PG A:APC505 2.9 32.3 1.0 PB A:APC505 3.0 37.3 1.0 C A:ILE444 3.1 33.7 1.0 O A:HOH560 3.3 35.4 1.0 C3A A:APC505 3.4 37.3 1.0 O1B A:APC505 3.5 42.4 1.0 PA A:APC505 3.7 37.2 1.0 O2G A:APC505 3.7 36.9 1.0 N A:ILE444 3.8 34.5 1.0 OG A:SER246 3.8 20.8 1.0 CA A:ILE444 4.0 35.7 1.0 N A:GLY445 4.1 32.7 1.0 O1G A:APC505 4.2 36.0 1.0 O2B A:APC505 4.3 40.5 1.0 CA A:GLY445 4.3 31.0 1.0 OE1 A:GLU277 4.3 36.3 1.0 OE2 A:GLU277 4.3 33.7 1.0 CB A:ILE444 4.4 37.3 1.0 C A:GLY445 4.4 31.7 1.0 O5' A:APC505 4.5 39.6 1.0 O A:GLY445 4.6 32.2 1.0 CA A:GLY248 4.6 27.1 1.0 O1A A:APC505 4.7 37.4 1.0 CB A:SER246 4.7 22.9 1.0 CD A:GLU277 4.8 36.5 1.0 N A:ILE446 4.8 32.1 1.0 C A:LYS443 5.0 35.2 1.0

Magnesium binding site 2 out of 4 in the Carbapenam Synthetase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Carbapenam Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg504 b:22.6 occ:1.00 O B:ILE444 2.2 35.5 1.0 O3B B:APC505 2.4 37.5 1.0 O2A B:APC505 2.4 35.3 1.0 O3G B:APC505 2.4 33.2 1.0 O B:HOH548 2.5 18.9 1.0 PB B:APC505 2.8 33.2 1.0 PG B:APC505 3.0 32.5 1.0 C3A B:APC505 3.3 33.7 1.0 O1B B:APC505 3.3 38.6 1.0 C B:ILE444 3.4 35.5 1.0 PA B:APC505 3.5 32.1 1.0 O B:HOH507 3.6 32.9 1.0 OG B:SER246 3.7 27.6 1.0 O2G B:APC505 3.8 34.0 1.0 N B:ILE444 4.1 35.1 1.0 O2B B:APC505 4.2 37.8 1.0 OE2 B:GLU277 4.2 36.6 1.0 CA B:ILE444 4.2 37.0 1.0 O1G B:APC505 4.2 35.1 1.0 O5' B:APC505 4.3 35.3 1.0 N B:GLY445 4.3 35.1 1.0 CA B:GLY445 4.4 35.2 1.0 CB B:SER246 4.4 28.4 1.0 CA B:GLY248 4.4 30.2 1.0 C B:GLY445 4.5 36.2 1.0 CB B:ILE444 4.5 38.6 1.0 OE1 B:GLU277 4.6 40.1 1.0 O1A B:APC505 4.7 34.6 1.0 O B:GLY445 4.7 36.5 1.0 CD B:GLU277 4.9 39.6 1.0 N B:ILE446 4.9 35.8 1.0

Magnesium binding site 3 out of 4 in the Carbapenam Synthetase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Carbapenam Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg504 b:44.7 occ:1.00 O C:ILE444 2.0 60.4 1.0 O3G C:APC505 2.1 37.3 1.0 C3A C:APC505 2.6 42.4 1.0 O2A C:APC505 2.8 46.0 1.0 PB C:APC505 3.2 43.5 1.0 C C:ILE444 3.2 60.6 1.0 O3B C:APC505 3.2 42.2 1.0 PG C:APC505 3.2 38.0 1.0 CG2 C:ILE444 3.3 61.8 1.0 PA C:APC505 3.4 44.9 1.0 OG C:SER246 3.7 48.5 1.0 CA C:ILE444 4.1 60.6 1.0 O2G C:APC505 4.1 40.9 1.0 OE2 C:GLU277 4.1 64.6 1.0 O2B C:APC505 4.1 44.4 1.0 CB C:ILE444 4.2 60.8 1.0 O5' C:APC505 4.2 46.2 1.0 N C:GLY445 4.2 60.9 1.0 O1B C:APC505 4.2 41.8 1.0 N C:ILE444 4.2 60.5 1.0 O1A C:APC505 4.3 45.7 1.0 CA C:GLY445 4.3 60.5 1.0 C C:GLY445 4.3 60.2 1.0 CB C:SER246 4.4 47.7 1.0 O1G C:APC505 4.4 40.8 1.0 O C:GLY445 4.4 59.4 1.0 OE1 C:GLU277 4.4 64.2 1.0 CA C:GLY248 4.6 42.4 1.0 CG1 C:ILE444 4.6 60.6 1.0 CD C:GLU277 4.7 64.2 1.0 N C:ILE446 4.9 59.6 1.0

Magnesium binding site 4 out of 4 in the Carbapenam Synthetase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Carbapenam Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg504 b:30.4 occ:1.00 O D:HOH553 2.0 30.9 1.0 O D:ILE444 2.1 37.6 1.0 O3G D:APC505 2.3 26.3 1.0 C3A D:APC505 2.5 33.4 1.0 O2A D:APC505 2.9 35.8 1.0 PB D:APC505 3.1 32.9 1.0 O3B D:APC505 3.2 34.3 1.0 C D:ILE444 3.2 37.7 1.0 PG D:APC505 3.3 29.0 1.0 PA D:APC505 3.4 33.8 1.0 O D:HOH528 3.6 28.4 1.0 OG D:SER246 3.7 40.4 1.0 OE2 D:GLU277 3.9 38.6 1.0 O1B D:APC505 4.1 33.8 1.0 N D:GLY445 4.1 36.9 1.0 O2B D:APC505 4.1 37.8 1.0 O5' D:APC505 4.1 35.5 1.0 CA D:GLY445 4.1 37.3 1.0 C D:GLY445 4.2 37.6 1.0 O2G D:APC505 4.2 32.1 1.0 N D:ILE444 4.2 36.9 1.0 CA D:ILE444 4.2 37.7 1.0 CB D:SER246 4.3 41.4 1.0 O1A D:APC505 4.4 32.1 1.0 N D:ILE446 4.4 35.7 1.0 O D:GLY445 4.5 37.9 1.0 CB D:ILE444 4.5 38.2 1.0 O1G D:APC505 4.5 32.5 1.0 CA D:GLY248 4.6 34.6 1.0 OE1 D:GLU277 4.6 41.4 1.0 CD D:GLU277 4.7 41.1 1.0

M.T.Miller, B.Gerratana, A.Stapon, C.A.Townsend, A.C.Rosenzweig. Crystal Structure of Carbapenam Synthetase (Cara) J.Biol.Chem. V. 278 40996 2003.
ISSN: ISSN 0021-9258
PubMed: 12890666
DOI: 10.1074/JBC.M307901200