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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"
Page 2 of 9 | | | 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
3v2d A3510 Oph·Pout A:A2705(OP2) A5160, A5161, A5162, A5163 C:A2704 G:A2706, A:A2705
3v2d A3425 Oph·Pout G:A1647(OP2) A4918, A4919, A4920, A4921 G:A1325 A:A1616, C:A1646 A:A1616
3v2d A3413 Oph·Pout G:A1997(OP2) A4879, A4880, E412, E413 U:A1995 C:A1996
3v2d A3389 Oph·Pout U:A588(OP1) A4789, A4790, A4791, A4792, A4793 C:A664 C:A587
3v2d A3384 Oph·Pout A:A1156(OP2) A4772, A4773, A4774, A4775 A:A1155 G:A1157
3v2d A3416 Oph·Pout A:A1970(OP2) A4890, A4891, A4892, A4893, A4894 A:A1900 G:A1899, U:A1834 G:A1835
3v2d A3374 Oph·Pout G:A2251(OP1) A4741, A4742, A4743, A4744, A4745 G:A2252 U:A2249 G:A2252, G:A2253
3v2d A3331 Oph·Pout G:A1560(OP1) A4627, A4628, A4629, A4630 G:A1561 G:A1561
3v2d A3328 Oph·Pout C:A2879(OP2) A4615, A4616, A4617, A4618 U:A2878 A:A2835
3v2d A3526 Oph·Pout A:A945(OP2) A5207, A5208, A5209, A5210, A5211 G:A831 G:A944 G:A832, G:A944, G:A831
3v2d A3317 Oph·Pout G:A2719(OP2) A4577, A4578, A4579, A4580 U:A2687 U:A2688
3v2d A3311 Oph·Pout G:A2255(OP2) A4559, A4560, A4561, A4562 C:A2254 G:A2256, G:A2255
3v2d A3285 Oph·Pout G:A785(OP2) A4480, A4481, A4482, A4483 G:A792 C:A2440 C:A2440, G:A792
3v2d A3139 Oph·Pout G:A205(OP2) A4069, A4070, A4071, A4072 C:A203 C:A253
3v2d A3189 Oph·Pout G:A131(OP1) A4212, A4213, A4214, A4215 G:A143 A:A1349
3v2d A3217 Oph·Pout C:A574(OP1) A4288, A4289, A4290, A4291, A4292 C:A2055 G:A2035, G:A2018
3v2d A3193 Oph·Pout A:A53(OP2) A4220, A4221, A4222, A4223 A:A52 G:A54, G:A55
3v2d A3144 Oph·Pout A:A1001(OP2) A4083, A4084, A4085, A4086 A:A1000 G:A1003, G:A1002
3v2d B211 Oph·Pout A:B25(OP1) B314, B315, B316, B317 U:B55 G:B24
3v2d A3108 Oph·Pout U:A193(OP1) A3979, A3980, A3981, A3982 G:A2070 U:A803 U:A803

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>