Magnesium in PDB 6cc3: Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium

The structure of Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium, PDB code: 6cc3 was solved by S.Bachas, A.R.Ferre-D'amare, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.66 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	125.531, 68.288, 83.384, 90.00, 97.96, 90.00
R / Rfree (%)	19.6 / 24.9

The structure of Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium also contains other interesting chemical elements:

Cadmium

(Cd)

12 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Magnesium atom in the Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium (pdb code 6cc3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 16 binding sites of Magnesium where determined in the Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium, PDB code: 6cc3:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 16 in the Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium


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 Ykoy-Mntp Riboswitch Chimera Bound to Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg208 b:73.1 occ:1.00 O A:HOH319 2.5 76.3 1.0 O6 A:G8 2.8 71.4 1.0 C6 A:G8 3.9 60.4 1.0 N7 A:G7 4.3 64.1 1.0 N7 A:G8 4.4 58.8 1.0 C5 A:G8 4.5 60.3 1.0 O5' A:A93 4.6 78.8 1.0 OP2 A:G7 4.6 88.9 1.0 O A:HOH325 4.6 51.4 1.0 OP2 A:A93 4.7 56.3 1.0 C8 A:G7 4.8 68.9 1.0 N7 A:G9 5.0 57.9 1.0

Magnesium binding site 2 out of 16 in the Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium


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 Ykoy-Mntp Riboswitch Chimera Bound to Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg209 b:43.4 occ:1.00 OP1 A:U45 2.0 80.8 1.0 OP1 A:G9 2.1 84.0 1.0 OP1 A:A39 2.2 59.2 1.0 O A:HOH322 2.3 44.2 1.0 O A:HOH304 2.4 30.2 1.0 O A:HOH311 2.5 30.3 1.0 P A:U45 2.7 68.2 1.0 O3' A:C44 2.8 64.4 1.0 P A:G9 3.1 71.8 1.0 OP2 A:U45 3.2 63.0 1.0 OP2 A:G9 3.3 96.0 1.0 P A:A39 3.5 47.4 1.0 OP2 A:A39 3.9 47.4 1.0 CD A:CD201 4.1 58.9 1.0 C3' A:C44 4.1 62.0 1.0 O5' A:U45 4.2 62.2 1.0 O3' A:G8 4.2 75.8 1.0 O5' A:G9 4.3 62.5 1.0 C3' A:G38 4.3 46.7 1.0 O3' A:G38 4.3 46.1 1.0 OP1 A:G8 4.4 65.3 1.0 C4' A:C44 4.6 53.8 1.0 C5' A:G8 4.6 57.2 1.0 O5' A:A39 4.7 62.6 1.0 C5' A:U45 4.7 46.5 1.0 C5' A:C44 4.8 52.0 1.0 OP1 A:G38 4.9 40.1 1.0

Magnesium binding site 3 out of 16 in the Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium


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 Ykoy-Mntp Riboswitch Chimera Bound to Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg210 b:45.9 occ:1.00 O A:HOH301 2.0 50.7 1.0 O A:HOH317 2.4 51.9 1.0 O A:HOH318 2.9 47.1 1.0 O6 A:G61 2.9 74.7 1.0 O6 A:G35 3.8 71.3 1.0 O6 A:G62 3.9 72.8 1.0 C6 A:G61 4.0 64.2 1.0 O4 A:U36 4.0 52.2 1.0 N7 A:G62 4.6 42.7 1.0 N4 A:C63 4.6 58.9 1.0 N4 A:C60 4.6 42.6 1.0 N4 A:C37 4.8 38.6 1.0 C5 A:G61 4.8 54.1 1.0 C6 A:G62 4.9 60.0 1.0 N1 A:G61 4.9 59.4 1.0 N7 A:G61 4.9 50.7 1.0

Magnesium binding site 4 out of 16 in the Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium


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 Ykoy-Mntp Riboswitch Chimera Bound to Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg211 b:92.1 occ:1.00 OP1 A:U88 2.5 76.4 1.0 OP1 A:A89 2.9 82.4 1.0 OP1 A:U64 3.4 59.8 1.0 P A:U88 3.5 61.8 1.0 O5' A:U88 3.7 68.9 1.0 OP2 A:U88 4.1 61.8 1.0 C5' A:U88 4.3 52.6 1.0 P A:A89 4.3 83.9 1.0 P A:U64 4.7 64.1 1.0 O3' A:U87 4.9 76.4 1.0

Magnesium binding site 5 out of 16 in the Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg212 b:53.7 occ:1.00 O4 A:U69 2.8 63.7 1.0 O6 A:G70 2.8 61.5 1.0 O4 A:U87 2.8 54.2 1.0 O4 A:U86 3.1 56.5 1.0 C4 A:U69 3.5 64.2 1.0 C4 A:U87 3.8 55.1 1.0 C6 A:G70 3.9 51.9 1.0 C5 A:U69 3.9 65.8 1.0 N6 A:A71 3.9 64.0 1.0 N3 A:U87 4.2 56.1 1.0 C4 A:U86 4.2 54.8 1.0 N7 A:G70 4.3 50.6 1.0 C5 A:G70 4.4 53.2 1.0 N3 A:U69 4.6 49.8 1.0 C6 A:A71 4.7 64.0 1.0 N3 A:U86 4.9 53.6 1.0 N1 A:A71 5.0 58.3 1.0

Magnesium binding site 6 out of 16 in the Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg213 b:86.6 occ:1.00 N7 A:GTP217 2.7 56.1 1.0 O3B A:GTP217 2.9 0.2 1.0 O2G A:GTP217 3.3 0.3 1.0 O6 A:GTP217 3.5 51.7 1.0 PG A:GTP217 3.6 0.6 1.0 C5 A:GTP217 3.7 51.3 1.0 C8 A:GTP217 3.7 61.5 1.0 C6 A:GTP217 4.0 49.0 1.0 O1G A:GTP217 4.1 0.4 1.0 PB A:GTP217 4.1 0.2 1.0 O2B A:GTP217 4.2 1.0 1.0 N6 A:A3 4.4 77.7 1.0 O3A A:GTP217 4.6 0.7 1.0 N9 A:GTP217 4.9 65.8 1.0 C4 A:GTP217 4.9 56.0 1.0 O3G A:GTP217 5.0 0.1 1.0

Magnesium binding site 7 out of 16 in the Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg214 b:56.1 occ:1.00 O A:HOH312 2.7 40.4 1.0 O A:HOH315 2.9 50.8 1.0 N7 A:G27 3.1 53.3 1.0 O6 A:G27 3.9 39.9 1.0 C5 A:G27 4.0 52.9 1.0 C8 A:G27 4.1 56.7 1.0 N4 A:C26 4.2 65.0 1.0 C5 A:C26 4.3 53.2 1.0 C6 A:G27 4.3 41.3 1.0 C4 A:C26 4.4 56.2 1.0 N6 A:A28 4.6 39.7 1.0

Magnesium binding site 8 out of 16 in the Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg215 b:77.5 occ:1.00 OP2 A:A89 2.8 71.8 1.0 N7 A:G90 3.1 77.4 1.0 O6 A:G90 3.5 86.5 1.0 P A:A89 3.8 83.9 1.0 O3' A:U88 3.9 77.5 1.0 C5 A:G90 3.9 77.8 1.0 C6 A:G90 4.1 84.9 1.0 O5' A:A89 4.1 66.7 1.0 O2' A:U88 4.1 93.9 1.0 C8 A:G90 4.2 76.9 1.0 N4 A:C91 4.4 73.5 1.0 C8 A:A89 4.4 59.5 1.0 N7 A:A89 4.4 60.2 1.0 C2' A:U88 4.5 72.9 1.0 C3' A:U88 4.6 64.5 1.0 N2 A:G16 5.0 54.9 1.0

Magnesium binding site 9 out of 16 in the Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg216 b:85.0 occ:1.00 OP2 A:A78 3.3 51.3 1.0 OP1 A:G77 3.5 45.3 1.0 P A:G77 4.6 44.9 1.0 P A:A78 4.7 49.9 1.0 OP2 A:G77 4.9 36.3 1.0 C5' A:A78 5.0 40.1 1.0 O5' A:G77 5.0 40.2 1.0

Magnesium binding site 10 out of 16 in the Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of Ykoy-Mntp Riboswitch Chimera Bound to Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg218 b:54.7 occ:1.00 OP1 B:C25 2.0 82.5 1.0 O2 A:C40 2.1 83.9 1.0 C2 A:C40 3.2 69.7 1.0 P B:C25 3.2 61.7 1.0 N3 A:C40 3.6 62.3 1.0 O3' B:A24 3.8 59.6 1.0 OP2 B:C25 3.8 66.4 1.0 N1 A:C40 4.3 50.3 1.0 O5' B:C25 4.4 58.0 1.0 C1' A:C40 4.6 46.4 1.0 O2' A:G46 4.8 59.2 1.0 C5' B:C25 4.8 56.7 1.0 C4 A:C40 5.0 47.0 1.0

S.T.Bachas, A.R.Ferre-D'amare. Convergent Use of Heptacoordination For Cation Selectivity By Rna and Protein Metalloregulators. Cell Chem Biol V. 25 962 2018.
ISSN: ESSN 2451-9448
PubMed: 29805037
DOI: 10.1016/J.CHEMBIOL.2018.04.016