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 3oi2 3OI2 (3.1Å) -- RIBOSOME/ANTIBIOTIC : Structure of the thermus thermophilus 70s ribosome complexed with telithromycin. this file contains the 30s subunit of one 70s ribosome. the entire crystal structure contains two 70s ribosomes. List of all 51 Mg2+ binding sites in the PDB structure 3oi2 in the full dataset (switch to benchmark dataset) Sites in the table can be ordered by the following fields by clicking the column header: "benchmark dataset", "Coordination Number", "Qv #", "Qs #", "Qe #", "Site type" or "Mg2+ ID" Page 1 of 3 | « Previous | Next » | 1 | 2 | 3

Mg2+ ion Site type Validation parameters PDB ID Mg2+ ID Coordination Number Qv # Qs # Qe # benchmark dataset 3oi2 A1555 Mg2+ not bound by RNA 0  0  0   0.39 no 3oi2 A1559 Mg2+ not bound by RNA 0  0  0   0.51 no 3oi2 A1594 Mg2+ not bound by RNA 0  0  0   0.81 no 3oi2 A1580 Mg2+ not bound by RNA 0  0  0   0.98 no 3oi2 A1581 Mg2+ not bound by RNA 0  0  0   0.40 no 3oi2 A1574 Mg2+ not bound by RNA 0  0  0   0.71 no 3oi2 A1590 Mg2+ not bound by RNA 0  0  0   0.45 no 3oi2 A1579 Mg2+ not bound by RNA 0  0  0   0.48 no 3oi2 A1556 Mg2+ not bound by RNA 0  0  0   0.50 no 3oi2 A1546 Mg2+ not bound by RNA 0  0  0   0.46 no 3oi2 A1576 Mg2+ not bound by RNA 0  0  0   0.76 no 3oi2 A1565 Mg2+ not bound by RNA 0  0  0   0.62 no 3oi2 A1562 Mg2+ not bound by RNA 0  0  0   0.83 no 3oi2 A1550 Mg2+ not bound by RNA 0  0  0   0.55 no 3oi2 A1583 Mg2+ not bound by RNA 0  0  0   0.80 no 3oi2 A1587 Mg2+ not bound by RNA 0  0  0   0.89 no 3oi2 A1572 Mg2+ not bound by RNA 0  0  0   0.51 no 3oi2 A1585 Nb 1   0.01  0   0.46 no 3oi2 A1563 Ob 1   0.01  0   0.76 no 3oi2 A1592 Ob 1   0.02  0   0.60 no

^# Validation parameters Q_v, Q_s, Q_e are defined in the range of 0 to 1, with 0 indicating poorest reliability and higher value indicating a more reliable site
Q_v measures the agreement of the inner-sphere bond valence summation with the oxidation state of Mg²⁺ (+2)
Q_s measures the geometrical symmetry of the ligands distribution around the Mg²⁺ required for octahedral geometry
Q_e measures the agreement of the isotropic atomic displacement (B) factor and occupancy of the Mg²⁺ compared to those of all atoms in its environment

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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