MgRNA: Classification of Mg2+ binding sites in RNA crystal structures Back to Classification Home Download this subset in: CSV, XML, JSON List of Mg2+ binding sites in structure 4jf2 4JF2 (2.28Å) -- RNA : Structure of a class ii preq1 riboswitch reveals ligand recognition by a new fold List of all 4 Mg2+ binding sites in the PDB structure 4jf2 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 1 of 1

Mg2+ ion Site type Inner-sphere ligands Outer-sphere ligands PDB ID Mg2+ ID Oph Or Ob+Nb Water Other Pout Rout Bout 4jf2 A120 Oph A:A10(OP1) A331, A332, A333, A334, A335 A:A10 4jf2 A118 Oph·Pout U:A53(OP1) A317, A318, A319, A320 U:A54 4jf2 A117 Oph·3Pout U:A41(OP1) A312, A313, A314, A315, A316 G:A23, A:A24, A:A55 U:A53 4jf2 A119 Oph·3Pout G:A42(OP1) A326, A327, A328, A329, A330 G:A23, A:A43, C:A22

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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