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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 1ehz




1EHZ (1.93Å) -- RNA : The crystal structure of yeast phenylalanine trna at 1.93 a resolution
List of all 4 Mg2+ binding sites in the PDB structure 1ehz 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
1ehz A540 cis-2Oph G:A20(OP1), A:A21(OP2) A722, A723, A724
1ehz A510 4Bout A712, A713, A714, A715, A716 G:A3, G:A4, U:A68, U:A69
1ehz A570 Pout·2Bout A731, A732, A733, A734, A735, A736 C:A25 U:A41, G:A42
1ehz A560 4Pout A725, A726, A727, A728, A729, A730 U:A12, U:A8, A:A9, C:A11

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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