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MgRNA: Classification of Mg2+ binding sites in RNA crystal structures

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List of Mg2+ binding sites in structure 3v24




3V24 (3Å) -- RIBOSOME : Crystal structure of rmf bound to the 70s ribosome. this pdb entry contains coordinates for the 30s subunit with bound rmf of the 2nd ribosome in the asu
List of all 11 Mg2+ binding sites in the PDB structure 3v24 in the benchmark dataset (switch to full dataset)
Sites in the table can be ordered by the following fields by clicking the column header: "Site type" or "Mg2+ ID"
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Mg2+ ion Site type Inner-sphere ligands Outer-sphere ligands
PDB ID Mg2+ ID Oph Or Ob+Nb Water Other Pout Rout Bout
3v24 A1648 Nb G:A324(N7) A1741, A1742, T201, T202 G:A324
3v24 A1643 Oph C:A352(OP2) A1723, A1724, A1725, A1726 C:A352 C:A330, A:A59
3v24 A1663 Oph·2Pout G:A588(OP2) A1785, A1786, A1787, A1788 C:A645, G:A644 G:A587
3v24 A1666 Oph·3Pout A:A315(OP1) A1795, A1796, A1797, A1798 G:A316, G:A317, G:A318 G:A318, G:A319
3v24 A1644 2Bout A1727, A1728, A1729, A1730, A1731 G:A285, U:A287
3v24 A1670 2Bout A1812, A1813, A1814, A1815, A1816 G:A376, G:A377
3v24 A1645 Pout·2Bout A1732, A1733, A1734, A1735, A1736 G:A266 G:A258, G:A257
3v24 A1664 Pout·3Bout A1789, A1790, A1791, A1792 A:A753 C:A589, G:A650, G:A649
3v24 A1668 Pout·5Bout A1802, A1803, A1804, A1805, A1806, A1807 G:A1057 C:A1059, G:A1058, G:A1198, U:A1199, G:A1197
3v24 A1669 2Pout·2Bout A1808, A1809, A1810, A1811 G:A803, U:A804 G:A771, U:A772
3v24 A1662 3Pout·Bout A1781, A1782, A1783, A1784 A:A621, G:A617, C:A620 G:A617

Site type used in the classification is a string abbreviation of ligand composition in Mg2+ coordination sphere
Abbreviations
used for Mg2+
"Site type"
Mg2+ inner-sphere ligands Geometry for inner-sphere OP Mg2+ outer-sphere moieties
Oph phosphate oxygen (OP1/OP2)
Or ribose oxygen (O2'/O4')
     or oxygen bridging phosphate and ribose (O3'/O5')
Ob nucleobase oxygen      Nb nucleobase nitrogen
cis- two OP ligands adopt cis- isoform
trans- two OP ligands adopt trans- isoform
fac- three OP ligands adopt fac- isoform
mer- three OP ligands adopt mer- isoform
Pout phosphate moiety
Rout ribose moiety
Bout nucleobase moiety
Reference: Zheng H, Shabalin IG, Handing KB, Bujnicki JM, Minor W. (2015) Magnesium binding architectures in RNA crystal structures: validation, binding preferences, classification, and motif detection. Nucleic Acid Research 43(7):3789-801 [Pubmed].


Developed by Heping Zheng and Ivan Shabalin at Minor lab (http://olenka.med.virginia.edu/CrystUVa/)
For any help please contact <dust@iwonka.med.virginia.edu>