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SummaryGeometryPCM/PTMRelated PDB entries

RUA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C38C17sing1.51Å1.51Å
C38H381sing0.97Å1.10Å
C38H382sing0.97Å1.10Å
C38H383sing0.97Å1.10Å
C17C18sing1.39Å1.39ÅAromatic
C17C16doub1.39Å1.39ÅAromatic
C18C19doub1.39Å1.39ÅAromatic
C18H18sing0.94Å1.08Å
C19N14sing1.35Å1.41ÅAromatic
C19C20sing1.49Å1.48Å
C16C15sing1.38Å1.40ÅAromatic
C16H16sing0.94Å1.08Å
C15N14doub1.33Å1.35ÅAromatic
C15H15sing0.95Å1.08Å
N14RUsing2.38Å1.87Å
RUN25sing2.46Å1.90Å
RUN2sing2.94Å1.87Å
RUN13sing1.44Å1.89Å
RUN26sing2.49Å1.88Å
RUN37sing3.20Å1.87Å
N25C24sing1.34Å1.35ÅAromatic
N25C20doub1.35Å1.42ÅAromatic
C24C23doub1.38Å1.41ÅAromatic
C24H24sing0.95Å1.08Å
C23C22sing1.39Å1.40ÅAromatic
C23H23sing0.94Å1.08Å
C20C21sing1.39Å1.35ÅAromatic
C21C22doub1.39Å1.39ÅAromatic
C21H21sing0.94Å1.08Å
C22C39sing1.51Å1.52Å
C39H391sing0.97Å1.10Å
C39H392sing0.97Å1.10Å
C39H393sing0.97Å1.10Å
N2C3doub1.34Å1.35ÅAromatic
N2C7sing1.28Å1.41ÅAromatic
C3C4sing1.36Å1.40ÅAromatic
C3H3sing0.94Å1.08Å
C4C5doub1.36Å1.39ÅAromatic
C4H4sing0.94Å1.08Å
C5C6sing1.38Å1.39ÅAromatic
C5H5sing0.94Å1.08Å
C7C6doub1.42Å1.39ÅAromatic
C7C8sing1.52Å1.47Å
C6H6sing0.92Å1.08Å
C8C9sing1.40Å1.40ÅAromatic
C8N13doub1.33Å1.41ÅAromatic
C9C10doub1.39Å1.38ÅAromatic
C9H9sing0.94Å1.08Å
C10C11sing1.37Å1.39ÅAromatic
C10H10sing0.94Å1.08Å
C11C12doub1.37Å1.40ÅAromatic
C11H11sing0.94Å1.08Å
C12N13sing1.33Å1.35ÅAromatic
C12H12sing0.95Å1.08Å
N26C27doub1.35Å1.35ÅAromatic
N26C31sing1.37Å1.42ÅAromatic
C27C28sing1.37Å1.40ÅAromatic
C27H27sing0.94Å1.08Å
C28C29doub1.37Å1.40ÅAromatic
C28H28sing0.94Å1.08Å
C29C30sing1.37Å1.39ÅAromatic
C29H29sing0.94Å1.08Å
C31C30doub1.40Å1.39ÅAromatic
C31C32sing1.49Å1.48Å
C30H30sing0.94Å1.08Å
C32C33sing1.41Å1.39ÅAromatic
C32N37doub1.35Å1.41ÅAromatic
C33C34doub1.38Å1.39ÅAromatic
C33H33sing0.94Å1.08Å
C34C35sing1.36Å1.39ÅAromatic
C34H34sing0.94Å1.08Å
C35C36doub1.37Å1.40ÅAromatic
C35H35sing0.94Å1.08Å
C36N37sing1.38Å1.35ÅAromatic
C36H36sing0.94Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C17C38H381109.5°109.8°
C17C38H382109.5°109.8°
C17C38H383109.4°109.6°
C38C17C18120.3°120.9°
C38C17C16120.3°122.3°
H381C38H382109.5°109.1°
H381C38H383109.5°109.3°
H382C38H383109.4°109.2°
C18C17C16119.4°116.8°
C17C18C19118.3°120.1°
C17C18H18120.8°119.4°
C17C16C15121.7°119.4°
C17C16H16119.2°120.2°
C19C18H18120.9°119.5°
C18C19N14122.0°121.2°
C18C19C20125.9°119.4°
N14C19C20112.0°117.0°
C19N14C15119.2°116.8°
C19N14RU117.7°88.7°
C19C20N25109.8°117.1°
C19C20C21126.8°120.1°
C15C16H16119.2°120.4°
C16C15N14119.4°123.3°
C16C15H15120.3°118.4°
N14C15H15120.3°117.9°
C15N14RU123.1°121.2°
N14RUN2582.7°83.3°
N14RUN297.6°89.1°
N14RUN13177.8°171.3°
N14RUN2697.7°97.9°
N14RUN3789.5°125.7°
N25RUN283.1°66.2°
N25RUN1398.4°90.5°
N25RUN26178.9°162.2°
N25RUN3798.2°136.8°
RUN25C24125.1°133.0°
RUN25C20117.8°89.0°
N2RUN1384.3°94.1°
N2RUN2695.9°131.4°
N2RUN37172.9°81.6°
RUN2C3124.2°125.2°
RUN2C7116.3°34.7°
N13RUN2681.2°86.0°
N13RUN3788.5°62.8°
RUN13C8115.7°89.6°
RUN13C12126.9°147.2°
N26RUN3782.8°55.4°
RUN26C27122.7°104.4°
RUN26C31117.5°137.2°
RUN37C32117.9°112.6°
RUN37C36124.5°130.7°
C24N25C20117.1°117.0°
N25C24C23120.6°124.0°
N25C24H24119.7°117.7°
N25C20C21123.5°122.2°
C23C24H24119.7°118.1°
C24C23C22121.2°119.5°
C24C23H23119.4°120.3°
C22C23H23119.4°120.2°
C23C22C21117.8°116.8°
C23C22C39121.5°121.8°
C20C21C22119.8°120.3°
C20C21H21120.1°119.8°
C22C21H21120.1°119.7°
C21C22C39120.7°121.4°
C22C39H391109.5°109.7°
C22C39H392109.5°109.8°
C22C39H393109.5°109.6°
H391C39H392109.4°109.1°
H391C39H393109.4°109.3°
H392C39H393109.5°109.3°
C3N2C7119.6°121.1°
N2C3C4118.8°123.5°
N2C3H3120.6°117.9°
N2C7C6122.2°118.6°
N2C7C8112.2°113.1°
C4C3H3120.6°118.5°
C3C4C5122.2°117.2°
C3C4H4118.9°121.3°
C5C4H4118.9°121.5°
C4C5C6119.3°119.1°
C4C5H5120.4°120.5°
C6C5H5120.3°120.4°
C5C6C7117.9°120.3°
C5C6H6121.0°118.6°
C6C7C8125.6°128.3°
C7C6H6121.0°121.1°
C7C8C9125.7°122.4°
C7C8N13111.6°116.9°
C9C8N13122.7°119.4°
C8C9C10118.4°119.3°
C8C9H9120.8°120.1°
C8N13C12117.5°120.2°
C10C9H9120.8°120.1°
C9C10C11119.1°119.5°
C9C10H10120.5°120.2°
C11C10H10120.5°120.3°
C10C11C12121.5°117.8°
C10C11H11119.3°121.1°
C12C11H11119.2°121.0°
C11C12N13120.8°122.9°
C11C12H12119.6°118.8°
N13C12H12119.6°118.3°
C27N26C31119.8°116.5°
N26C27C28119.2°124.7°
N26C27H27120.4°117.5°
N26C31C30122.1°121.2°
N26C31C32110.8°117.0°
C28C27H27120.4°117.9°
C27C28C29121.3°118.5°
C27C28H28119.4°120.7°
C29C28H28119.3°120.8°
C28C29C30120.1°119.2°
C28C29H29119.9°120.5°
C30C29H29119.9°120.3°
C29C30C31117.4°119.9°
C29C30H30121.3°119.4°
C30C31C32127.1°121.7°
C31C30H30121.3°120.7°
C31C32C33126.7°122.9°
C31C32N37111.0°115.6°
C33C32N37122.3°121.5°
C32C33C34118.9°120.2°
C32C33H33120.6°120.6°
C32N37C36117.7°115.9°
C34C33H33120.5°119.2°
C33C34C35118.7°119.2°
C33C34H34120.6°120.3°
C35C34H34120.6°120.4°
C34C35C36121.4°118.3°
C34C35H35119.3°120.9°
C36C35H35119.3°120.8°
C35C36N37121.0°124.9°
C35C36H36119.5°117.2°
N37C36H36119.5°117.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C17C38H381H382120.0°120.3°
C17C38H381H383120.0°120.2°
C17C38H382H383120.0°120.2°
C38C17C18C16179.8°178.1°
C38C17C18C19179.9°173.5°
C38C17C18H180.1°5.4°
C38C17C16C15180.0°178.9°
C38C17C16H160.0°0.6°
H381C38H382H383120.0°119.5°
H381C38C17C18180.0°154.7°
H381C38C17C160.2°27.3°
H382C38C17C1860.0°34.8°
H382C38C17C16120.3°147.3°
H383C38C17C1860.0°85.2°
H383C38C17C16119.8°92.8°
C17C18C19H18180.0°168.1°
C17C18C19N140.2°16.6°
C17C18C19C20179.9°178.3°
C18C17C16C150.3°3.0°
C18C17C16H16179.7°177.5°
C16C17C18C190.2°8.4°
C16C17C18H18179.9°176.6°
C17C16C15H16180.0°179.5°
C17C16C15N140.0°5.5°
C17C16C15H15180.0°178.1°
C18C19N14C20179.7°162.1°
C18C19N14C150.4°18.3°
C18C19N14RU179.7°106.4°
C18C19C20N25179.8°70.9°
C18C19C20C210.1°100.1°
H18C18C19N14179.8°175.3°
H18C18C19C200.1°13.6°
C19N14C15C160.3°12.9°
C19N14C15RU179.2°106.0°
C19N14C15H15179.7°174.4°
C19N14RUN250.4°20.7°
C19N14RUN281.6°86.8°
C19N14RUN13122.1°24.9°
C19N14RUN26178.7°141.5°
C19N14RUN3798.7°165.8°
N14C19C20N250.5°91.5°
N14C19C20C21179.9°97.5°
C20C19N14C15179.9°179.7°
C20C19N14RU0.6°55.7°
C19C20N25RU0.3°47.5°
C19C20N25C24179.6°173.4°
C19C20N25C21179.6°170.8°
C19C20C21C22179.9°176.6°
C19C20C21H210.1°8.9°
C16C15N14H15180.0°172.6°
C16C15N14RU179.5°93.1°
H16C16C15N14179.9°175.0°
H16C16C15H150.1°2.4°
C15N14RUN25179.6°141.6°
C15N14RUN297.6°152.3°
C15N14RUN1358.7°96.0°
C15N14RUN260.6°20.6°
C15N14RUN3782.1°73.3°
H15C15N14RU0.5°79.5°
N14RUN25N298.7°91.9°
N14RUN25N13178.1°173.8°
N14RUN25N26115.4°95.2°
N14RUN25N3788.4°137.3°
N14RUN2N13179.1°171.9°
N14RUN2N2698.6°99.8°
N14RUN2N37178.0°126.3°
N14RUN13N2659.6°117.4°
N14RUN13N3723.4°170.3°
N14RUN26N3788.5°128.3°
N14RUN25C24179.2°140.9°
N14RUN25C200.0°13.7°
N14RUN2C30.4°21.9°
N14RUN2C7179.7°117.1°
N14RUN13C8156.8°123.8°
N14RUN13C1223.4°33.1°
N14RUN26C2791.2°60.7°
N14RUN26C3188.6°136.5°
N14RUN37C3297.6°70.5°
N14RUN37C3682.2°98.6°
N25RUN2N1399.2°88.8°
N25RUN2N26179.7°177.1°
N25RUN2N37100.3°150.5°
N25RUN13N26179.0°162.6°
N25RUN13N3798.0°144.6°
N25RUN26N37156.3°138.8°
RUN25C24C20179.2°116.6°
RUN25C24C23179.2°114.2°
RUN25C24H240.8°60.1°
RUN25C20C21179.9°141.8°
N25RUN2C381.3°105.0°
N25RUN2C798.7°159.8°
N25RUN13C881.8°78.7°
N25RUN13C1298.1°78.2°
N25RUN26C2724.0°32.2°
N25RUN26C31156.2°130.6°
N25RUN37C32179.9°165.6°
N25RUN37C360.4°25.3°
N2RUN13N2696.9°131.3°
N2RUN13N37179.9°78.4°
N2RUN26N37173.0°32.5°
N2RUN25C2482.1°48.9°
N2RUN25C2098.6°78.2°
RUN2C3C7180.0°41.5°
RUN2C3C4179.8°36.3°
RUN2C3H30.2°139.6°
RUN2C7C6179.6°103.9°
RUN2C7C80.6°74.7°
N2RUN13C80.3°12.5°
N2RUN13C12179.8°144.4°
N2RUN26C277.4°156.5°
N2RUN26C31172.9°40.7°
N2RUN37C3280.5°153.3°
N2RUN37C3699.8°15.8°
N13RUN26N3789.6°59.5°
N13RUN25C241.1°45.3°
N13RUN25C20178.2°172.5°
N13RUN2C3179.5°166.2°
N13RUN2C70.5°71.0°
RUN13C8C70.1°11.2°
RUN13C8C9179.9°155.9°
RUN13C8C12179.9°165.8°
RUN13C12C11180.0°147.8°
RUN13C12H120.0°31.9°
N13RUN26C2790.7°111.5°
N13RUN26C3189.6°51.3°
N13RUN37C3281.6°107.7°
N13RUN37C3698.7°83.2°
N26RUN25C2465.4°124.0°
N26RUN25C20115.3°108.9°
N26RUN2C399.0°77.8°
N26RUN2C781.0°17.3°
N26RUN13C897.2°118.8°
N26RUN13C1282.9°84.3°
RUN26C27C31179.8°167.0°
RUN26C27C28179.8°166.4°
RUN26C27H270.2°13.1°
RUN26C31C30180.0°159.6°
RUN26C31C320.4°17.2°
N26RUN37C320.3°2.7°
N26RUN37C36179.9°171.8°
N37RUN25C2490.8°3.6°
N37RUN25C2088.5°123.6°
N37RUN2C3178.4°104.4°
N37RUN2C71.7°9.2°
N37RUN13C8179.8°65.9°
N37RUN13C120.1°137.2°
N37RUN26C27179.7°171.0°
N37RUN26C310.1°8.2°
RUN37C32C310.6°10.4°
RUN37C32C33179.2°171.8°
RUN37C32C36179.8°170.8°
RUN37C36C35179.3°168.3°
RUN37C36H360.7°9.8°
N25C24C23H24180.0°174.3°
N25C24C23C221.1°3.9°
N25C24C23H23178.9°176.8°
C24N25C20C210.8°2.6°
C20N25C24C230.0°2.4°
C20N25C24H24180.0°176.7°
N25C20C21C220.6°6.1°
N25C20C21H21179.4°179.4°
C24C23C22H23180.0°179.3°
C24C23C22C211.3°0.3°
C24C23C22C39179.1°179.3°
H24C24C23C22178.9°178.2°
H24C24C23H231.1°2.5°
C23C22C21C200.5°4.3°
C23C22C21C39179.6°179.6°
C23C22C21H21179.5°178.8°
C23C22C39H391180.0°152.5°
C23C22C39H39260.0°32.7°
C23C22C39H39360.0°87.4°
H23C23C22C21178.7°179.7°
H23C23C22C390.9°0.1°
C20C21C22H21180.0°174.5°
C20C21C22C39179.9°176.1°
C21C22C39H3910.4°27.9°
C21C22C39H392119.6°147.8°
C21C22C39H393120.4°92.2°
H21C21C22C390.1°1.5°
C22C39H391H392120.0°120.3°
C22C39H391H393120.0°120.2°
C22C39H392H393120.0°120.2°
H391C39H392H393119.9°119.5°
N2C3C4H3180.0°175.9°
N2C3C4C50.7°3.4°
N2C3C4H4179.3°177.6°
C3N2C7C60.5°4.3°
C3N2C7C8179.4°177.1°
C7N2C3C40.2°5.2°
C7N2C3H3179.9°178.9°
N2C7C6C50.6°2.2°
N2C7C6C8178.8°178.4°
N2C7C6H6179.4°177.2°
N2C7C8C9179.5°39.7°
N2C7C8N130.3°127.0°
C3C4C5H4180.0°179.0°
C3C4C5C60.5°1.2°
C3C4C5H5179.4°179.7°
H3C3C4C5179.4°179.3°
H3C3C4H40.6°1.7°
C4C5C6H5180.0°179.1°
C4C5C6C70.1°0.6°
C4C5C6H6179.9°178.8°
H4C4C5C6179.5°179.8°
H4C4C5H50.6°0.7°
C5C6C7H6180.0°179.4°
C5C6C7C8179.4°179.4°
H5C5C6C7179.9°179.7°
H5C5C6H60.1°0.3°
C6C7C8C90.6°141.8°
C6C7C8N13179.2°51.4°
C8C7C6H60.6°1.2°
C7C8C9N13179.8°166.4°
C7C8C9C10179.5°176.6°
C7C8C9H90.5°10.9°
C7C8N13C12180.0°177.0°
C8C9C10H9180.0°172.5°
C8C9C10C111.0°5.7°
C8C9C10H10179.0°175.5°
C9C8N13C120.2°9.8°
N13C8C9C100.7°10.1°
N13C8C9H9179.3°177.3°
C8N13C12C110.1°5.2°
C8N13C12H12179.8°175.1°
C9C10C11H10180.0°178.9°
C9C10C11C121.0°1.0°
C9C10C11H11179.1°178.9°
H9C9C10C11179.0°178.2°
H9C9C10H101.0°2.9°
C10C11C12H11180.0°179.8°
C10C11C12N130.5°0.6°
C10C11C12H12179.5°179.7°
H10C10C11C12179.0°179.9°
H10C10C11H111.0°0.0°
C11C12N13H12180.0°179.7°
H11C11C12N13179.5°179.2°
H11C11C12H120.5°0.4°
N26C27C28H27180.0°179.5°
N26C27C28C290.1°0.0°
N26C27C28H28179.9°179.8°
C27N26C31C300.2°1.7°
C27N26C31C32179.4°178.5°
C31N26C27C280.0°0.7°
C31N26C27H27180.0°179.8°
N26C31C30C290.2°2.0°
N26C31C30C32179.5°176.7°
N26C31C30H30179.8°179.2°
N26C31C32C33179.2°165.8°
N26C31C32N370.6°16.4°
C27C28C29H28180.0°179.8°
C27C28C29C300.1°0.3°
C27C28C29H29179.9°179.9°
H27C27C28C29179.8°179.4°
H27C27C28H280.2°0.7°
C28C29C30H29180.0°179.8°
C28C29C30C310.1°1.3°
C28C29C30H30179.9°180.0°
H28C28C29C30179.9°179.9°
H28C28C29H290.2°0.1°
C29C30C31H30180.0°178.7°
C29C30C31C32179.3°178.7°
H29C29C30C31180.0°178.9°
H29C29C30H300.0°0.2°
C30C31C32C331.2°17.4°
C30C31C32N37179.8°160.4°
C32C31C30H300.7°2.6°
C31C32C33N37178.4°177.7°
C31C32C33C34179.2°179.5°
C31C32C33H330.8°2.4°
C31C32N37C36179.6°178.8°
C32C33C34H33180.0°178.1°
C32C33C34C350.6°1.1°
C32C33C34H34179.4°179.1°
C33C32N37C361.0°1.0°
N37C32C33C340.8°1.8°
N37C32C33H33179.2°179.9°
C32N37C36C351.0°0.5°
C32N37C36H36179.0°178.6°
C33C34C35H34180.0°179.7°
C33C34C35C360.6°0.2°
C33C34C35H35179.4°179.6°
H33C33C34C35179.4°179.3°
H33C33C34H340.6°1.0°
C34C35C36H35180.0°179.4°
C34C35C36N370.8°1.1°
C34C35C36H36179.2°179.2°
H34C34C35C36179.4°179.5°
H34C34C35H350.6°0.1°
C35C36N37H36180.0°178.1°
H35C35C36N37179.2°179.5°
H35C35C36H360.8°1.4°

259351

PDB entries from 2026-09-09

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