Magnesium in PDB 1z5u: Crystal Structure of S. Typhimurium Apha Complexed with Cyclic-Amp

All present enzymatic activity of Crystal Structure of S. Typhimurium Apha Complexed with Cyclic-Amp:
3.1.3.2;

The structure of Crystal Structure of S. Typhimurium Apha Complexed with Cyclic-Amp, PDB code: 1z5u was solved by R.D.Makde, V.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.710, 84.300, 149.830, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 20.4

The binding sites of Magnesium atom in the Crystal Structure of S. Typhimurium Apha Complexed with Cyclic-Amp (pdb code 1z5u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of S. Typhimurium Apha Complexed with Cyclic-Amp, PDB code: 1z5u:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of S. Typhimurium Apha Complexed with Cyclic-Amp


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 S. Typhimurium Apha Complexed with Cyclic-Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:17.3 occ:1.00 O A:HOH504 1.9 16.2 1.0 OD2 A:ASP46 2.0 20.6 1.0 O A:HOH505 2.1 17.5 1.0 O A:HOH613 2.1 12.3 1.0 O A:ASP48 2.2 16.2 1.0 OD1 A:ASP169 2.2 19.8 1.0 CG A:ASP46 2.9 21.6 1.0 OD1 A:ASP46 3.2 18.5 1.0 CG A:ASP169 3.3 20.3 1.0 C A:ASP48 3.3 18.0 1.0 OD2 A:ASP169 3.6 21.1 1.0 OG A:SER170 3.9 16.5 1.0 O2' A:CMP502 3.9 44.8 1.0 OD2 A:ASP173 4.0 27.4 1.0 OG1 A:THR50 4.0 17.8 1.0 CA A:ASP48 4.1 17.9 1.0 N A:ASP48 4.1 15.8 1.0 CB A:ASP46 4.2 18.6 1.0 CB A:ASP48 4.3 18.6 1.0 O A:HOH503 4.4 18.4 1.0 O A:HOH577 4.4 34.7 1.0 N A:ASP49 4.4 16.7 1.0 O3' A:CMP502 4.5 42.4 1.0 CB A:ASP49 4.6 15.7 1.0 CB A:ASP169 4.6 18.2 1.0 N A:THR50 4.7 18.8 1.0 N A:ASP169 4.7 18.2 1.0 N A:SER170 4.8 16.3 1.0 C A:ILE47 4.8 16.3 1.0 CB A:SER170 4.8 16.7 1.0 CA A:ASP49 4.8 18.5 1.0 O A:HOH572 4.9 22.4 1.0 C A:ASP49 4.9 19.7 1.0 CB A:THR50 4.9 18.5 1.0 N A:ILE47 5.0 17.6 1.0 C2' A:CMP502 5.0 43.2 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of S. Typhimurium Apha Complexed with Cyclic-Amp


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 S. Typhimurium Apha Complexed with Cyclic-Amp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:14.5 occ:1.00 O B:HOH509 2.0 16.9 1.0 O B:ASP48 2.0 18.7 1.0 O B:HOH619 2.1 20.9 1.0 O B:HOH620 2.1 17.3 1.0 OD2 B:ASP46 2.1 21.4 1.0 OD1 B:ASP169 2.2 19.6 1.0 CG B:ASP46 3.0 20.8 1.0 CG B:ASP169 3.1 18.9 1.0 C B:ASP48 3.2 19.3 1.0 OD1 B:ASP46 3.3 20.6 1.0 OD2 B:ASP169 3.4 18.1 1.0 CA B:ASP48 3.9 18.2 1.0 OG1 B:THR50 3.9 17.9 1.0 N B:ASP48 4.0 17.6 1.0 CB B:ASP48 4.1 18.6 1.0 O2' B:CMP504 4.1 33.7 1.0 OG B:SER170 4.2 22.5 1.0 OD2 B:ASP173 4.2 21.4 1.0 N B:ASP49 4.3 18.0 1.0 CB B:ASP46 4.4 17.9 1.0 CB B:ASP49 4.4 16.7 1.0 CB B:ASP169 4.5 17.7 1.0 O B:HOH621 4.6 33.4 1.0 O B:HOH511 4.6 15.8 1.0 N B:THR50 4.6 17.8 1.0 O3' B:CMP504 4.6 36.7 1.0 N B:ASP169 4.7 19.2 1.0 CA B:ASP49 4.7 18.5 1.0 C B:ILE47 4.7 16.4 1.0 C B:ASP49 4.7 18.9 1.0 O B:HOH510 4.8 23.0 1.0 N B:SER170 4.8 21.4 1.0 CB B:THR50 4.9 16.5 1.0 CB B:SER170 5.0 19.3 1.0 N B:ILE47 5.0 16.4 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of S. Typhimurium Apha Complexed with Cyclic-Amp


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 S. Typhimurium Apha Complexed with Cyclic-Amp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg505 b:19.6 occ:1.00 OD2 C:ASP46 1.8 24.2 1.0 O C:HOH470 2.0 16.0 1.0 O C:ASP48 2.0 15.3 1.0 O C:HOH227 2.0 20.6 1.0 OD1 C:ASP169 2.1 16.3 1.0 O C:HOH471 2.2 19.8 1.0 CG C:ASP46 2.8 25.0 1.0 C C:ASP48 3.2 17.7 1.0 OD1 C:ASP46 3.2 26.2 1.0 CG C:ASP169 3.2 15.6 1.0 OD2 C:ASP169 3.6 19.2 1.0 CA C:ASP48 3.8 18.0 1.0 OG1 C:THR50 3.8 20.6 1.0 N C:ASP48 3.9 18.1 1.0 OG C:SER170 4.1 25.5 1.0 CB C:ASP48 4.1 19.1 1.0 CB C:ASP46 4.2 23.0 1.0 O2' C:CMP506 4.2 29.2 1.0 OD2 C:ASP173 4.2 26.8 1.0 N C:ASP49 4.3 17.2 1.0 CB C:ASP49 4.4 13.3 1.0 O C:HOH229 4.5 27.4 1.0 CB C:ASP169 4.5 17.4 1.0 O C:HOH231 4.6 22.8 1.0 N C:THR50 4.6 18.5 1.0 C C:ILE47 4.6 19.6 1.0 O3' C:CMP506 4.7 30.0 1.0 N C:ASP169 4.7 19.4 1.0 CA C:ASP49 4.7 16.6 1.0 O C:HOH228 4.7 22.8 1.0 N C:ILE47 4.8 20.4 1.0 C C:ASP49 4.8 17.0 1.0 CB C:THR50 4.8 19.2 1.0 N C:SER170 4.9 20.1 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of S. Typhimurium Apha Complexed with Cyclic-Amp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of S. Typhimurium Apha Complexed with Cyclic-Amp within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg507 b:18.5 occ:1.00 O D:ASP48 2.1 16.7 1.0 O D:HOH338 2.1 19.6 1.0 OD2 D:ASP46 2.2 17.5 1.0 O D:HOH474 2.2 12.9 1.0 OD1 D:ASP169 2.2 17.4 1.0 O D:HOH473 2.2 21.8 1.0 CG D:ASP46 3.0 15.5 1.0 CG D:ASP169 3.2 17.7 1.0 C D:ASP48 3.3 18.1 1.0 OD1 D:ASP46 3.3 11.3 1.0 OD2 D:ASP169 3.6 17.5 1.0 CA D:ASP48 4.0 17.3 1.0 O2' D:CMP508 4.0 35.3 1.0 OG D:SER170 4.0 19.8 1.0 OG1 D:THR50 4.0 18.1 1.0 OD2 D:ASP173 4.1 19.7 1.0 CB D:ASP48 4.1 17.6 1.0 N D:ASP48 4.1 16.5 1.0 O3' D:CMP508 4.3 29.4 1.0 N D:ASP49 4.4 18.0 1.0 CB D:ASP46 4.4 15.6 1.0 CB D:ASP49 4.5 17.1 1.0 O D:HOH430 4.5 23.3 1.0 O D:HOH340 4.5 18.2 1.0 CB D:ASP169 4.6 14.3 1.0 N D:ASP169 4.7 13.8 1.0 N D:THR50 4.7 18.9 1.0 CA D:ASP49 4.8 18.1 1.0 O D:HOH339 4.8 16.4 1.0 N D:SER170 4.8 14.9 1.0 C D:ASP49 4.8 18.7 1.0 C D:ILE47 4.8 15.8 1.0 CB D:SER170 4.9 18.8 1.0 O2P D:CMP508 4.9 24.6 1.0 C2' D:CMP508 5.0 30.1 1.0 CB D:THR50 5.0 19.5 1.0

R.D.Makde, G.D.Gupta, V.Kumar. Structure and Function of Class-B Bacterial Non-Specific Acid Phosphatase: Functional Role of Invariant LYS154 To Be Published.