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 4kj2 4KJ2 (2.9Å) -- RIBOSOME/ANTIBIOTIC : Control of ribosomal subunit rotation by elongation factor g List of all 44 Mg2+ binding sites in the PDB structure 4kj2 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 4kj2 U101 Bout 3   0.28   0.18   0.64 no 4kj2 E201 Mg2+ not bound by RNA 2   0.15   0.10   0.85 no 4kj2 N201 Pout 2   0.08   0.09   0.97 no 4kj2 N202 Pout 4   0.58   0.33   0.55 no 4kj2 V802 Mg2+ not bound by RNA 5   0.66   0.59   0.96 no 4kj2 A1601 2Pout·Bout 3   0.36   0.52   0.91 no 4kj2 A1602 Mg2+ not bound by RNA 0  0  0   0.54 no 4kj2 A1603 Ob·2Nb 5   0.38   0.54   0.79 no 4kj2 A1604 2Ob 4   0.16   0.64   0.93 no 4kj2 A1605 cis-2Oph 4   0.64   0.49   0.71 no 4kj2 A1606 Oph·Pout 3   0.69   0.33   0.67 no 4kj2 A1607 Oph·Pout 4   0.63   0.37   0.75 no 4kj2 A1608 mer-3Oph 4   0.67   0.88   0.68 yes 4kj2 A1609 Oph·Pout 4   0.38   0.26   0.58 no 4kj2 A1610 Ob 1   0.05  0   0.84 no 4kj2 A1611 Pout 3   0.36   0.20   0.83 no 4kj2 A1612 3Pout·Bout 3   0.59   0.41   0.84 no 4kj2 A1613 2Pout·3Bout 3   0.43   0.16   0.82 no 4kj2 A1614 Oph·Pout 4   0.39   0.46   0.42 no 4kj2 A1615 Oph 3   0.51   0.22   0.82 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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