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 4qcp 4QCP (2.6Å) -- RIBOSOME : Crystal structure of the thermus thermophilus 70s ribosome in the pre- attack state of peptide bond formation containing acylated trna- substrates in the a and p sites. this entry contains the 50s subunit of the second 70s ribosome in the asu. List of all 707 Mg2+ binding sites in the PDB structure 4qcp 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 11 of 36 | « Previous | Next » | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15

Mg2+ ion Site type Validation parameters PDB ID Mg2+ ID Coordination Number Qv # Qs # Qe # benchmark dataset 4qcp A3100 2Bout 1   0.02  0   0.80 no 4qcp A3018 Oph 1   0.06  0   0.80 no 4qcp A3627 Mg2+ not bound by RNA 1   0.12  0   0.80 no 4qcp A3097 Mg2+ not bound by RNA 1   0.11  0   0.80 no 4qcp A3216 cis-2Oph 3   0.21   0.32   0.80 no 4qcp A3608 cis-2Oph·Ob 5   0.28   0.41   0.80 no 4qcp A3079 Or 1   0.02  0   0.80 no 4qcp A3321 Oph·Pout 5   0.52   0.64   0.80 yes 4qcp A3109 2Ob 2   0.04   0.15   0.80 no 4qcp A3333 cis-2Oph 4   0.29   0.30   0.80 no 4qcp A3479 Rout 2   0.25   0.28   0.81 no 4qcp A3597 Pout·Rout·2Bout 2   0.25   0.30   0.81 no 4qcp A3596 5Bout 2   0.25   0.30   0.81 no 4qcp A3635 2Pout·Bout 4   0.49   0.99   0.81 no 4qcp A3185 Mg2+ not bound by RNA 0  0  0   0.81 no 4qcp A3452 2Pout·Bout 4   0.50   0.64   0.81 yes 4qcp A3401 Oph·Pout 4   0.40   0.72   0.81 no 4qcp A3360 Oph·Pout 4   0.42   0.63   0.81 no 4qcp A3197 other RNA-inner types 3   0.04   0.40   0.81 no 4qcp A3218 Mg2+ not bound by RNA 0  0  0   0.81 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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