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

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Representative site 3r8s:A2930, See in JSmolMgRNA representative site for type OP             Click on the image to toggle views


Site type: Oph

Schematic drawing for
Oph

MgRNA type OP
List of all 588 Mg2+ binding sites with the site type Oph in RNA crystal structures in the benchmark dataset (switch to full dataset)
Sites in the table can be ordered by the following fields by clicking the column header: "PDB ID" or "Mg2+ ID"
Page 5 of 24 | | | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9
Mg2+ ion Site type Inner-sphere ligands Outer-sphere ligands
PDB ID Mg2+ ID Oph Or Ob+Nb Water Other Pout Rout Bout
2qbf A1553 Oph C:A1195(OP1) A1655, A1656, A1657, A1658, A1659 A:A1398
2qbf A1564 Oph A:A937(OP2) A1705, A1706, A1707, A1708, A1709 A:A937, A:A938, G:A939
2qbf A1593 Oph G:A100(OP2) A1853, A1854, A1855, A1856, A1857 G:A64, A:A101
2qbg B2922 Oph A:B800(OP1) B3102, B3103, B3104, B3105, B3106 G:B799 A:B191, C:B192
2qbg B2966 Oph U:B419(OP1) B3317, B3318, B3319, B3320, B3321 G:B230
2qbg B2947 Oph A:B1678(OP2) B3224, B3225, B3226, B3227, B3228 A:B1678, A:B1679
2qbh A1578 Oph A:A1433(OP2) A1771, A1772, A1773, A1774, A1775 G:A1432 A:A1434, G:A1435
2qbh A1571 Oph G:A21(OP1) A1741, A1742, A1743, A1744, A1745 A:A573, A:A563, G:A567
2qbh A1554 Oph A:A937(OP2) A1656, A1657, A1658, A1659, A1660
2qbi B2962 Oph A:B800(OP1) B3286, B3287, B3288, B3289, B3290 G:B799, A:B203 C:B192, A:B800
2qbi B2934 Oph U:B419(OP1) B3155, B3156, B3157, B3158, B3159 G:B230
2qbj A1564 Oph A:A937(OP2) A1705, A1706, A1707, A1708, A1709 G:A939, A:A937, A:A938
2qbj A1553 Oph C:A1195(OP1) A1655, A1656, A1657, A1658, A1659 U:A1194 A:A1398
2qbj A1602 Oph C:A980(OP1) A1892, A1893, A1894, A1895, A1896 G:A1221, G:A1220, A:A1219
2qbk B2922 Oph A:B800(OP1) B3101, B3102, B3103, B3104, B3105 G:B799, A:B203 C:B192, A:B800
2qbk B2947 Oph A:B1678(OP2) B3220, B3221, B3222, B3223, B3224 A:B1678, A:B1679
2qbk B2966 Oph U:B419(OP1) B3312, B3313, B3314, B3315, B3316 G:B230
2qou A1570 Oph A:A572(OP1) A2034, A2035, A2036, A2037, A2038 A:A819
2qou A1571 Oph G:A21(OP1) A2039, A2040, A2041, A2042, A2043 G:A567, A:A573, A:A563
2qou A1583 Oph A:A608(OP2) A2093, A2094, A2095, A2096, A2097 C:A631, A:A609, U:A610
2qov B2934 Oph U:B419(OP1) B3156, B3157, B3158, B3159, B3160 C:B418 G:B230
2qov B2962 Oph A:B800(OP1) B3290, B3291, B3292, B3293, B3294 G:B799 A:B191
2qov B2930 Oph A:B945(OP1) B3137, B3138, B3139, B3140, B3141 G:B831
2qow A1562 Oph G:A21(OP1) A1983, A1984, A1985, A1986, A1987 G:A567, G:A568 A:A573, A:A563
2qow A1569 Oph A:A608(OP2) A2014, A2015, A2016, A2017, A2018 A:A630, A:A609, C:A631, U:A610

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>