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1RU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8C7sing1.53Å1.53Å
C7C1sing1.51Å1.52Å
C7O9sing1.43Å1.44Å
CL2C2sing1.74Å1.72Å
C1C2doub1.38Å1.39ÅAromatic
C1C3sing1.38Å1.40ÅAromatic
O9C13sing1.36Å1.38Å
C2C4sing1.38Å1.39ÅAromatic
CL1C3sing1.74Å1.72Å
C3C5doub1.39Å1.38ÅAromatic
C4C6doub1.38Å1.39ÅAromatic
C5C6sing1.38Å1.39ÅAromatic
C5F12sing1.35Å1.33Å
C13C18doub1.39Å1.40ÅAromatic
C13C14sing1.39Å1.40ÅAromatic
O19C18sing1.34Å1.23ÅAromatic
O19C20sing1.35Å1.23ÅAromatic
N22C14sing1.39Å1.41Å
C18C17sing1.41Å1.38ÅAromatic
C14N15doub1.33Å1.40ÅAromatic
C20C21doub1.35Å1.38ÅAromatic
C17C21sing1.47Å1.36ÅAromatic
C17C16doub1.39Å1.37ÅAromatic
N15C16sing1.32Å1.39ÅAromatic
C21C23sing1.49Å1.50Å
C23C24sing1.41Å1.37ÅAromatic
C23C27doub1.36Å1.38ÅAromatic
C24N25doub1.31Å1.35ÅAromatic
C27N26sing1.35Å1.35ÅAromatic
N25N26sing1.40Å1.27ÅAromatic
N26C28sing1.47Å1.48Å
C28C29sing1.53Å1.55Å
C28C33sing1.53Å1.54Å
C29C30sing1.53Å1.53Å
C33C32sing1.53Å1.54Å
C30N31sing1.47Å1.47Å
C32N31sing1.47Å1.47Å
C6H1sing1.08Å1.08Å
C4H2sing1.08Å1.08Å
C7H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C20H7sing1.08Å1.08Å
C16H8sing1.08Å1.08Å
N22H9sing0.97Å1.00Å
N22H10sing0.97Å1.00Å
C27H11sing1.08Å1.08Å
C24H12sing1.08Å1.08Å
C28H13sing1.09Å1.10Å
C33H14sing1.09Å1.10Å
C33H15sing1.09Å1.10Å
C32H16sing1.09Å1.10Å
C32H17sing1.09Å1.10Å
N31H18sing1.01Å1.00Å
C30H20sing1.09Å1.10Å
C30H21sing1.09Å1.10Å
C29H22sing1.09Å1.10Å
C29H23sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C8C7C1108.1°109.5°
C8C7O9110.8°109.5°
C8C7H3108.3°109.5°
C7C8H4109.5°109.5°
C7C8H5109.5°109.5°
C7C8H6109.5°109.4°
C1C7O9111.7°109.5°
C7C1C2120.8°119.9°
C7C1C3120.5°120.0°
C1C7H3108.4°109.5°
C7O9C13126.9°117.0°
O9C7H3109.5°109.4°
CL2C2C1120.8°120.0°
CL2C2C4118.7°120.0°
C2C1C3118.7°120.0°
C1C2C4120.5°120.0°
C1C3CL1121.8°120.0°
C1C3C5120.8°120.0°
O9C13C18124.1°120.6°
O9C13C14119.0°120.5°
C2C4C6120.1°120.1°
C2C4H2119.9°119.9°
CL1C3C5117.4°120.0°
C3C5C6120.1°120.0°
C3C5F12119.1°120.0°
C4C6C5119.8°120.0°
C4C6H1120.1°120.0°
C6C4H2119.9°120.0°
C6C5F12120.8°120.0°
C5C6H1120.1°120.0°
C18C13C14117.0°118.9°
C13C18O19128.8°134.4°
C13C18C17121.4°118.0°
C13C14N22120.4°119.4°
C13C14N15120.8°121.2°
C18O19C20111.0°111.1°
O19C18C17109.8°107.6°
O19C20C21111.4°110.0°
O19C20H7124.3°125.0°
N22C14N15118.8°119.4°
C14N22H9109.5°120.0°
C14N22H10109.4°120.0°
C18C17C21105.4°105.4°
C18C17C16122.0°119.6°
C14N15C16121.2°122.1°
C20C21C17102.3°106.0°
C20C21C23127.3°127.0°
C21C20H7124.3°125.1°
C21C17C16132.6°135.1°
C17C21C23130.3°127.0°
C17C16N15117.6°120.3°
C17C16H8121.2°119.8°
N15C16H8121.2°119.9°
C21C23C24125.3°126.2°
C21C23C27130.3°126.2°
C24C23C27104.4°107.6°
C23C24N25108.9°108.1°
C23C24H12125.6°125.9°
C23C27N26107.4°107.6°
C23C27H11126.3°126.2°
C24N25N26108.7°108.5°
N25C24H12125.6°125.9°
C27N26N25110.6°108.2°
C27N26C28125.5°125.9°
N26C27H11126.3°126.2°
N25N26C28123.9°125.9°
N26C28C29110.4°109.5°
N26C28C33110.9°109.5°
N26C28H13109.3°109.5°
C29C28C33109.1°109.2°
C28C29C30111.9°109.3°
C29C28H13108.5°109.5°
C28C29H22108.9°109.5°
C28C29H23108.9°109.5°
C28C33C32111.6°109.3°
C33C28H13108.6°109.6°
C28C33H14108.9°109.5°
C28C33H15108.9°109.5°
C29C30N31110.1°109.5°
C29C30H20109.3°109.4°
C29C30H21109.3°109.5°
C30C29H22108.9°109.4°
C30C29H23108.9°109.5°
C33C32N31111.0°109.5°
C32C33H14108.9°109.5°
C32C33H15108.9°109.5°
C33C32H16109.1°109.5°
C33C32H17109.1°109.5°
C30N31C32113.8°111.2°
C30N31H18108.4°110.9°
N31C30H20109.3°109.4°
N31C30H21109.3°109.5°
N31C32H16109.1°109.4°
N31C32H17109.1°109.5°
C32N31H18108.4°111.0°
H4C8H5109.5°109.5°
H4C8H6109.5°109.4°
H5C8H6109.4°109.5°
H9N22H10109.5°120.0°
H14C33H15109.4°109.6°
H16C32H17109.5°109.4°
H20C30H21109.5°109.5°
H22C29H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C8C7C1O9122.1°120.0°
C8C7C1H3117.2°120.0°
C8C7O9H3119.4°119.9°
C8C7C1C2103.6°105.0°
C8C7C1C375.3°74.8°
C8C7O9C13165.8°90.0°
C7C8H4H5120.0°120.1°
C7C8H4H6120.0°119.9°
C7C8H5H6120.0°120.0°
C1C7O9H3120.0°120.0°
C7C1C2CL20.8°0.0°
C7C1C2C3178.9°179.8°
C1C7O9C1373.7°150.0°
C7C1C2C4179.6°180.0°
C7C1C3CL11.0°0.3°
C7C1C3C5179.3°179.7°
C1C7C8H4180.0°179.9°
C1C7C8H560.0°60.0°
C1C7C8H660.0°60.0°
O9C7C1C2134.3°135.0°
O9C7C1C346.8°45.2°
C7O9C13C188.9°90.0°
C7O9C13C14171.2°90.3°
O9C7C8H457.3°59.9°
O9C7C8H5177.4°180.0°
O9C7C8H662.7°60.0°
CL2C2C1C4179.6°180.0°
CL2C2C1C3179.7°179.7°
CL2C2C4C6179.8°180.0°
CL2C2C4H20.2°0.0°
C2C1C3CL1179.9°180.0°
C2C1C3C50.4°0.5°
C1C2C4C60.6°0.0°
C1C2C4H2179.4°179.9°
C2C1C7H313.6°15.0°
C3C1C2C40.8°0.2°
C1C3CL1C5179.8°179.5°
C1C3C5C60.2°0.5°
C1C3C5F12180.0°179.7°
C3C1C7H3167.6°165.2°
O9C13C18C14179.9°179.7°
O9C13C18O190.1°0.1°
O9C13C14N220.2°0.0°
O9C13C18C17179.9°180.0°
O9C13C14N15179.9°179.8°
C13O9C7H346.4°30.0°
C2C4C6H2180.0°180.0°
C2C4C6C50.0°0.1°
C2C4C6H1180.0°180.0°
CL1C3C5C6179.6°180.0°
CL1C3C5F120.2°0.2°
C3C5C6C40.3°0.2°
C3C5C6F12179.9°179.8°
C3C5C6H1179.6°179.8°
C4C6C5H1180.0°180.0°
C4C6C5F12179.8°179.9°
C5C6C4H2179.9°179.9°
F12C5C6H10.2°0.1°
C13C18O19C17179.8°179.9°
C13C18O19C20178.8°179.9°
C18C13C14N22179.9°179.7°
C18C13C14N150.0°0.5°
C13C18C17C21179.6°179.9°
C13C18C17C160.1°0.0°
C14C13C18O19179.8°179.8°
C13C14N22N15179.9°179.8°
C14C13C18C170.0°0.3°
C13C14N15C160.0°0.5°
C13C14N22H9179.9°0.1°
C13C14N22H1060.1°180.0°
C18O19C20C212.2°0.0°
O19C18C17C210.6°0.0°
O19C18C17C16179.9°180.0°
C18O19C20H7177.8°180.0°
C20O19C18C171.0°0.0°
O19C20C21H7180.0°180.0°
O19C20C21C172.4°0.0°
O19C20C21C23176.1°180.0°
N22C14N15C16179.9°179.7°
C14N22H9H10120.0°179.9°
C18C17C21C201.7°0.0°
C18C17C21C16179.4°180.0°
C18C17C16N150.1°0.0°
C18C17C21C23176.8°180.0°
C18C17C16H8179.8°180.0°
C14N15C16C170.1°0.3°
C14N15C16H8179.9°179.8°
N15C14N22H90.0°179.9°
N15C14N22H10120.0°0.2°
C20C21C17C23178.5°180.0°
C20C21C17C16178.9°180.0°
C20C21C23C2414.8°130.0°
C20C21C23C27164.8°49.7°
C21C17C16N15179.4°179.9°
C17C21C23C24167.1°50.0°
C17C21C23C2713.4°130.3°
C17C21C20H7177.6°180.0°
C21C17C16H80.6°0.0°
C17C16N15H8180.0°179.9°
C16C17C21C232.6°0.0°
C21C23C24C27179.6°179.7°
C21C23C24N25179.6°179.8°
C21C23C27N26179.9°180.0°
C23C21C20H73.9°0.0°
C21C23C27H110.1°0.0°
C21C23C24H120.4°0.0°
C23C24N25H12180.0°179.8°
C24C23C27N260.3°0.3°
C23C24N25N260.3°0.5°
C24C23C27H11179.7°179.7°
C27C23C24N250.0°0.4°
C23C27N26H11180.0°180.0°
C23C27N26N250.5°0.0°
C23C27N26C28180.0°180.0°
C27C23C24H12180.0°179.8°
C24N25N26C270.5°0.3°
C24N25N26C28179.9°179.7°
C27N26N25C28179.5°180.0°
C27N26C28C29139.7°85.0°
C27N26C28C3399.2°34.7°
C27N26C28H1320.5°154.9°
N25N26C28C2940.8°95.0°
N25N26C28C3380.3°145.3°
N25N26C27H11179.5°180.0°
N26N25C24H12179.7°179.8°
N25N26C28H13160.0°25.1°
N26C28C29C33122.2°119.9°
N26C28C29H13119.7°120.1°
N26C28C33H13120.1°120.1°
N26C28C29C30176.6°177.5°
N26C28C33C32175.2°177.6°
C28N26C27H110.0°0.0°
N26C28C33H1464.5°62.5°
N26C28C33H1554.8°57.6°
N26C28C29H2256.2°57.7°
N26C28C29H2363.0°62.5°
C29C28C33H13118.1°120.0°
C28C29C30H22120.4°119.9°
C28C29C30H23120.4°120.0°
C29C28C33C3253.3°57.7°
C28C29C30N3155.9°59.1°
C29C28C33H14173.7°177.6°
C29C28C33H1567.0°62.3°
C28C29C30H20176.0°60.8°
C28C29C30H2164.2°179.2°
C28C29H22H23118.9°120.2°
C33C28C29C3054.4°57.6°
C28C33C32H14120.3°119.9°
C28C33C32H15120.3°120.0°
C28C33C32N3154.5°59.2°
C28C33H14H15119.0°120.1°
C28C33C32H1665.8°60.8°
C28C33C32H17174.7°179.2°
C33C28C29H2265.9°62.2°
C33C28C29H23174.8°177.6°
C29C30N31H20120.1°119.9°
C29C30N31H21120.1°120.1°
C29C30N31C3257.2°61.7°
C30C29C28H1363.7°62.4°
C29C30N31H1863.5°62.4°
C29C30H20H21119.7°120.0°
C30C29H22H23118.9°120.1°
C33C32N31C3056.7°61.7°
C33C32N31H16120.2°120.0°
C33C32N31H17120.2°120.1°
C32C33C28H1364.7°62.3°
C32C33H14H15119.0°120.1°
C33C32H16H17119.3°120.0°
C33C32N31H1863.9°62.3°
C30N31C32H18120.7°124.0°
C30N31C32H1663.5°58.3°
C30N31C32H17177.0°178.2°
N31C30H20H21119.7°120.0°
N31C30C29H2264.5°60.8°
N31C30C29H23176.3°179.1°
N31C32C33H14174.8°179.1°
N31C32C33H1565.9°60.8°
N31C32H16H17119.3°120.0°
C32N31C30H20177.3°58.3°
C32N31C30H2162.9°178.3°
H1C6C4H20.0°0.1°
H3C7C8H462.8°60.0°
H3C7C8H557.2°60.1°
H3C7C8H6177.2°179.9°
H4C8H5H6120.0°120.0°
H13C28C33H1455.6°57.6°
H13C28C33H15174.9°177.8°
H13C28C29H22176.0°177.8°
H13C28C29H2356.7°57.6°
H14C33C32H1654.6°59.1°
H14C33C32H1764.9°60.9°
H15C33C32H16173.9°179.2°
H15C33C32H1754.4°59.3°
H16C32N31H18175.8°177.7°
H17C32N31H1856.3°57.7°
H18N31C30H2056.6°177.7°
H18N31C30H21176.4°57.7°
H20C30C29H2255.6°179.2°
H20C30C29H2363.6°59.2°
H21C30C29H22175.5°59.3°
H21C30C29H2356.2°60.8°

223532

PDB entries from 2024-08-07

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