Magnesium in PDB 5exy: Crystal Structure of in Cellulo Recombinant CPV1 Polyhedra

The structure of Crystal Structure of in Cellulo Recombinant CPV1 Polyhedra, PDB code: 5exy was solved by M.Boudes, D.Garriga, F.Coulibaly, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.32 / 1.55
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	103.180, 103.180, 103.180, 90.00, 90.00, 90.00
R / Rfree (%)	12.8 / 16.7

The structure of Crystal Structure of in Cellulo Recombinant CPV1 Polyhedra also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of in Cellulo Recombinant CPV1 Polyhedra (pdb code 5exy). 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 in Cellulo Recombinant CPV1 Polyhedra, PDB code: 5exy:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of in Cellulo Recombinant CPV1 Polyhedra


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 in Cellulo Recombinant CPV1 Polyhedra within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:12.4 occ:0.62 O3G A:CTP306 1.9 7.7 0.6 O A:HOH545 1.9 24.1 1.0 O A:HOH536 2.0 21.9 1.0 O2B A:CTP306 2.2 7.6 0.6 O2A A:CTP306 2.3 6.7 0.6 HG A:SER79 3.0 24.4 1.0 PG A:CTP306 3.1 8.1 0.6 PB A:CTP306 3.1 8.7 0.6 HO3' A:CTP306 3.3 15.4 0.6 PA A:CTP306 3.3 6.9 0.6 H5'1 A:CTP306 3.4 7.8 0.6 O3B A:CTP306 3.5 7.4 0.6 O3A A:CTP306 3.5 7.8 0.6 O2G A:CTP306 3.7 9.6 0.6 OG A:SER79 3.9 24.2 1.0 H A:TYR80 4.1 8.2 1.0 H A:SER79 4.2 8.0 1.0 H3' A:CTP306 4.2 13.5 0.6 C5' A:CTP306 4.2 7.7 0.6 O5' A:CTP306 4.2 8.2 0.6 O3' A:CTP306 4.3 15.4 0.6 O1G A:CTP306 4.3 7.9 0.6 O1B A:CTP306 4.5 9.0 0.6 O1A A:CTP306 4.6 3.0 0.6 C3' A:CTP306 4.7 12.7 0.6 HB2 A:TYR80 4.7 5.9 1.0 N A:SER79 4.9 7.4 1.0 H5'2 A:CTP306 5.0 7.4 0.6 N A:TYR80 5.0 6.2 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of in Cellulo Recombinant CPV1 Polyhedra


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 in Cellulo Recombinant CPV1 Polyhedra within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:5.8 occ:0.54 O3G A:ATP305 2.0 7.5 0.6 O1B A:ATP305 2.0 3.6 0.6 O1A A:ATP305 2.0 7.8 0.6 PB A:ATP305 3.1 6.5 0.6 PG A:ATP305 3.2 9.5 0.6 PA A:ATP305 3.2 5.8 0.6 O3A A:ATP305 3.4 7.4 0.6 O3B A:ATP305 3.5 8.3 0.6 HZ3 A:LYS152 3.9 17.6 1.0 HZ2 A:LYS152 3.9 16.8 1.0 O1G A:ATP305 4.0 10.8 0.6 O2A A:ATP305 4.1 7.3 0.6 HZ1 A:LYS152 4.1 16.6 1.0 NZ A:LYS152 4.2 16.5 1.0 O A:HOH453 4.3 25.6 1.0 O2G A:ATP305 4.4 8.1 0.6 O5' A:ATP305 4.4 5.5 0.6 O2B A:ATP305 4.4 5.6 0.6 HZ1 A:LYS154 4.8 23.5 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of in Cellulo Recombinant CPV1 Polyhedra


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 in Cellulo Recombinant CPV1 Polyhedra within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:35.4 occ:0.75 O1B A:GTP307 1.9 38.0 0.7 O3G A:GTP307 1.9 31.8 0.7 O1A A:GTP307 2.0 31.7 0.7 PB A:GTP307 2.7 35.8 0.7 PG A:GTP307 3.1 30.0 0.7 PA A:GTP307 3.1 28.9 0.7 O3B A:GTP307 3.1 34.5 0.7 O3A A:GTP307 3.1 29.9 0.7 O1G A:GTP307 3.8 34.4 0.7 O2A A:GTP307 3.9 22.9 0.7 O2B A:GTP307 4.1 36.2 0.7 H5' A:GTP307 4.2 29.5 0.7 O2G A:GTP307 4.3 22.5 0.7 O5' A:GTP307 4.4 28.2 0.7 H5'' A:GTP307 4.7 29.2 0.7 C5' A:GTP307 4.7 29.5 0.7

M.Boudes, D.Garriga, A.Fryga, T.Caradoc-Davies, F.Coulibaly. A Pipeline For Structure Determination of in Vivo-Grown Crystals Using in Cellulo Diffraction. Acta Crystallogr D Struct V. 72 576 2016BIOL.
ISSN: ISSN 2059-7983
PubMed: 27050136
DOI: 10.1107/S2059798316002369