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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 3v2d




3V2D (2.7Å) -- RIBOSOME : Crystal structure of yfia bound to the 70s ribosome. this pdb entry contains coordinates for the 50s subunit of the 1st ribosome in the asu
List of all 177 Mg2+ binding sites in the PDB structure 3v2d 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
3v2d 6102 2Pout A5066, A5067, A5068, 8206, 8207 C:A2347, U:A2419
3v2d B211 Oph·Pout A:B25(OP1) B314, B315, B316, B317 U:B55 G:B24
3v2d B212 poly-nuclear Mg2+ site B318, B319, B320, B321, B322 G:B81 G:B82, G:B83
3v2d E306 Mg2+ bound by non-RNA A4875, A4876, E410, E411 ASP:E127(OD2) G:A1992 G:A1997
3v2d A3108 Oph·Pout U:A193(OP1) A3979, A3980, A3981, A3982 G:A2070 U:A803 U:A803
3v2d A3118 Oph·4Pout U:A963(OP1) A4004, A4005, A4006, A4007, A4008 C:A964, C:A2498, A:A2497, G:A947
3v2d A3120 Nb G:A298(N7) A4011, A4012, A4013, A4014, A4015 C:A297, G:A298, G:A338
3v2d A3121 Oph·2Pout U:A120(OP2) A4016, A4017, A4018, A4019, A4020 G:A121, G:A117 G:A122, G:A124, G:A123
3v2d A3124 Ob·Nb G:A2303(O6) A4025, A4026, A4027, A4028 G:A2302
3v2d A3125 cis-2Oph C:A1670(OP1), U:A1671(OP2) A4029, A4030, A4031, A4032 G:A2550, G:A2549
3v2d A3126 Oph·3Pout C:A31(OP1) A4033, A4034, A4035, A4036, A4151 G:A1239, U:A1199, U:A1240 A:A1214
3v2d A3130 2Nb G:A733(N7), A:A761(N7) A4046, A4047, A4048, A4049 C:A732, G:A733, G:A760, A:A761
3v2d A3137 cis-2Oph·Nb A:A197(OP1), C:A198(OP2) A:A195(N7) A4064, A4065 G:A194, A:A195
3v2d A3139 Oph·Pout G:A205(OP2) A4069, A4070, A4071, A4072 C:A203 C:A253
3v2d A3143 Oph·3Pout C:A192(OP1) A4078, A4079, A4080, A4081, A4082 A:A199, U:A2243, U:A193 U:A193
3v2d A3144 Oph·Pout A:A1001(OP2) A4083, A4084, A4085, A4086 A:A1000 G:A1003, G:A1002
3v2d A3149 3Pout·2Rout A4099, A4100, A4101, A4102, A4103 G:A690, A:A781, A:A782 U:A1777, G:A780
3v2d A3152 poly-nuclear Mg2+ site G:A1776(OP2) A4107, A4108, A4109, A4110, A4111 A:A1981, U:A1775 G:A1776
3v2d A3154 trans-2Oph U:A1352(OP2), C:A1376(OP2) A4115, A4116, A4117, A4118 C:A1351, C:A1375 G:A1377
3v2d A3156 Oph·2Pout C:A574(OP2) A4120, A4121, A4122, A4123, A4124 G:A573, U:A576 G:A577, U:A576, G:A563

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].


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