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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 1vs8




1VS8 (3.46Å) -- RIBOSOME : Crystal structure of the bacterial ribosome from escherichia coli in complex with the antibiotic kasugamyin at 3.5a resolution. this file contains the 50s subunit of one 70s ribosome. the entire crystal structure contains two 70s ribosomes and is
List of all 104 Mg2+ binding sites in the PDB structure 1vs8 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 6 | « Previous | | 1 | 2 | 3 | 4 | 5 | 6
Mg2+ ion Site type Inner-sphere ligands Outer-sphere ligands
PDB ID Mg2+ ID Oph Or Ob+Nb Water Other Pout Rout Bout
1vs8 B2970 Ob U:B746(O4) B3339, B3340, B3341, B3342, B3343 U:B744, C:B2610, C:B2611
1vs8 B2962 Ob G:B2304(O6) B3295, B3296, B3297, B3298, B3299 A:B2311, C:B2310
1vs8 B2921 2Nb G:B733(N7), A:B761(N7) B3096, B3097, B3098, B3099 A:B761, G:B733, G:B760, C:B732
1vs8 B2940 2Nb G:B1358(N7), G:B1371(N7) B3191, B3192, B3193, B3194 G:B1371, G:B1358, C:B1357, C:B1370
1vs8 B2922 Oph A:B800(OP1) B3100, B3101, B3102, B3103, B3104 G:B799 A:B191, C:B192, A:B800
1vs8 B2946 Oph A:B1678(OP2) B3216, B3217, B3218, B3219, B3220 A:B1679
1vs8 B2964 Oph U:B419(OP1) B3306, B3307, B3308, B3309, B3310 G:B230
1vs8 B2945 Oph U:B120(OP2) B3211, B3212, B3213, B3214, B3215 G:B122, G:B123
1vs8 B3002 Oph·Pout G:B1828(OP2) B3465, B3466, B3467, B3468, B3469 G:B1972 U:B1827 G:B1828
1vs8 B2977 Oph·Pout U:B1647(OP2) B3368, B3369, B3370, B3371, B3372 A:B1272 C:B1646, A:B1616 A:B1616
1vs8 B2949 Oph·Pout U:B120(OP1) B3230, B3231, B3232, B3233, B3234 G:B123 G:B124, G:B123
1vs8 B2942 Oph·Pout G:B536(OP2) B3198, B3199, B3200, B3201, B3202 G:B535 G:B536, G:B537
1vs8 B2926 Oph·Pout A:B1156(OP2) B3119, B3120, B3121, B3122, B3123 A:B1155 G:B1157, C:B998
1vs8 B3008 Oph·Pout A:B1676(OP2) B3487, B3488, B3489, B3490, B3491 C:B1675 A:B1676, A:B1677
1vs8 B2913 Oph·Pout A:B1664(OP2) B3057, B3058, B3059, B3060, B3061 G:B1992 A:B1664, A:B1665, G:B1992, G:B1666, G:B1667, G:B1663
1vs8 B2931 Oph·Pout A:B945(OP1) B3145, B3146, B3147, B3148, B3149 G:B831 U:B832, G:B831
1vs8 B2918 Oph·2Pout G:B1187(OP2) B3081, B3082, B3083, B3084, B3085 C:B817, C:B816 G:B1185 G:B818, G:B1187
1vs8 B2914 Oph·2Pout U:B567(OP1) B3062, B3063, B3064, B3065, B3066 G:B808, G:B809 U:B810, G:B809
1vs8 B2912 Oph·2Pout G:B1776(OP2) B3052, B3053, B3054, B3055, B3056 U:B1775, A:B1981 G:B1776
1vs8 B2911 Oph·2Pout A:B1970(OP2) B3047, B3048, B3049, B3050, B3051 G:B1835, A:B1900 U:B1834 G:B1835

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].


Developed by Heping Zheng and Ivan Shabalin at Minor lab (http://olenka.med.virginia.edu/CrystUVa/)
For any help please contact <dust@iwonka.med.virginia.edu>