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SummaryGeometryPCM/PTMRelated PDB entries

D0X

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C1C2sing1.51Å1.50Å
C2C3sing1.39Å1.44ÅAromatic
C2C10doub1.38Å1.45ÅAromatic
C2RUsing2.19Å2.23Å
C3C4doub1.38Å1.43ÅAromatic
C3RUsing2.20Å2.26Å
C4C5sing1.39Å1.44ÅAromatic
C4RUsing2.23Å2.29Å
C5C6sing1.53Å1.51Å
C5C9doub1.39Å1.45ÅAromatic
C5RUsing2.24Å2.23Å
C6C7sing1.51Å1.54Å
N1C16sing1.48Å1.48Å
N1C17sing1.48Å1.48Å
N1C19sing1.48Å1.49Å
C9C10sing1.39Å1.43ÅAromatic
C9RUsing2.21Å2.22Å
N2C20sing1.48Å1.48Å
N2C21sing1.48Å1.48Å
N2C19sing1.48Å1.48Å
C10RUsing2.19Å2.19Å
C16P1sing1.87Å1.84Å
C17N3sing1.48Å1.49Å
C18N3sing1.48Å1.49Å
C18P1sing1.87Å1.84Å
N3C21sing1.48Å1.49Å
P1RUsing2.42Å2.35Å
P1C20sing1.87Å1.85Å
C1H1sing0.97Å1.10Å
C1H2sing0.97Å1.10Å
C1H3sing0.97Å1.10Å
C6H6sing0.98Å1.10Å
C7H8sing0.97Å1.10Å
C7H9sing0.97Å1.10Å
C7H10sing0.97Å1.10Å
C16H15sing0.99Å1.10Å
C16H16sing0.99Å1.10Å
C17H17sing0.99Å1.10Å
C17H18sing0.99Å1.10Å
C18H19sing0.99Å1.10Å
C18H20sing0.99Å1.10Å
C20H22sing0.99Å1.10Å
C20H23sing0.99Å1.10Å
C21H24sing0.99Å1.10Å
C21H25sing0.99Å1.10Å
C19H26sing0.99Å1.10Å
C19H27sing0.99Å1.10Å
RUCL1sing2.41Å151.08Å
RUCL2sing2.41Å151.08Å
H4C6sing0.98Å1.10Å
H5C3sing0.94Å1.10Å
H7C4sing0.94Å1.10Å
H11C9sing0.94Å1.10Å
H12C10sing0.94Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C1C2C3118.4°121.4°
C1C2C10119.6°120.7°
C1C2RU125.3°129.6°
C2C1H1109.5°109.5°
C2C1H2109.5°110.0°
C2C1H3109.5°109.6°
C3C2C10121.5°117.9°
C3C2RU72.4°71.9°
C2C3C4119.2°121.2°
C2C3RU70.1°71.3°
C2C3H5117.9°119.3°
C10C2RU69.5°71.4°
C2C10C9118.3°121.3°
C2C10RU72.1°71.7°
C2C10H12118.9°119.3°
C2RUC337.5°36.8°
C2RUC466.5°66.2°
C2RUC579.4°79.1°
C2RUC967.7°66.5°
C2RUC1038.4°36.9°
C2RUP1121.2°104.0°
C2RUCL1124.9°127.8°
C2RUCL2124.9°143.4°
C4C3RU72.7°73.0°
C3C4C5120.0°121.2°
C3C4RU70.7°70.6°
C4C3H5118.2°119.5°
C3C4H7116.6°119.5°
C3RUC436.6°36.5°
C3RUC567.1°66.0°
C3RUC980.4°77.2°
C3RUC1069.2°65.6°
C3RUP190.9°121.5°
C3RUCL1103.3°94.1°
C3RUCL2103.3°159.9°
RUC3H5107.4°128.4°
C5C4RU69.4°72.5°
C4C5C6120.8°121.2°
C4C5C9120.5°117.4°
C4C5RU73.5°71.2°
C5C4H7116.4°119.4°
C4RUC537.1°36.3°
C4RUC967.7°64.9°
C4RUC1080.7°77.1°
C4RUP186.5°152.8°
C4RUCL166.8°81.1°
C4RUCL266.8°125.1°
RUC4H7106.3°129.0°
C6C5C9118.6°121.4°
C6C5RU131.7°131.5°
C5C6C7112.9°118.0°
C5C6H6108.6°107.7°
C5C6H4108.6°108.4°
C9C5RU70.4°70.5°
C5C9C10120.3°121.1°
C5C9RU71.6°73.1°
C5C9H11116.9°119.4°
C5RUC938.0°36.4°
C5RUC1068.7°66.2°
C5RUP1109.6°170.9°
C5RUCL145.5°98.2°
C5RUCL245.5°93.9°
C7C6H6108.6°107.7°
C6C7H8109.5°109.5°
C6C7H9109.5°109.7°
C6C7H10109.5°109.6°
C7C6H4108.6°107.8°
C16N1C17110.1°111.4°
C16N1C19112.5°111.4°
N1C16P1107.9°114.0°
N1C16H15109.9°109.2°
N1C16H16109.9°109.1°
C17N1C19110.6°108.3°
N1C17N3112.4°113.5°
N1C17H17108.7°109.4°
N1C17H18108.8°109.2°
N1C19N2112.7°113.6°
N1C19H26108.6°109.2°
N1C19H27108.6°109.4°
C10C9RU70.2°70.6°
C9C10RU71.9°72.7°
C10C9H11117.3°119.5°
C9C10H12119.4°119.5°
C9RUC1037.9°36.7°
C9RUP1147.2°136.8°
C9RUCL168.8°133.6°
C9RUCL268.8°86.5°
RUC9H11107.2°128.9°
C20N2C21111.0°111.2°
C20N2C19111.0°111.2°
N2C20P1106.9°114.0°
N2C20H22110.1°109.3°
N2C20H23110.1°109.0°
C21N2C19111.3°108.7°
N2C21N3113.2°113.5°
N2C21H24108.5°109.2°
N2C21H25108.5°109.4°
N2C19H26108.7°109.2°
N2C19H27108.6°109.4°
C10RUP1159.3°111.0°
C10RUCL1106.6°157.8°
C10RUCL2106.6°107.5°
RUC10H12108.7°128.0°
C16P1C1899.6°95.7°
C16P1RU112.4°125.7°
C16P1C20102.9°96.3°
P1C16H15109.9°108.4°
P1C16H16109.9°108.2°
C17N3C18112.3°111.3°
C17N3C21110.1°108.6°
N3C17H17108.7°109.4°
N3C17H18108.7°109.2°
N3C18P1106.2°114.2°
C18N3C21111.9°111.1°
N3C18H19110.3°109.2°
N3C18H20110.3°108.7°
C18P1RU119.1°116.4°
C18P1C20104.3°96.4°
P1C18H19110.3°108.3°
P1C18H20110.3°108.6°
N3C21H24108.6°109.2°
N3C21H25108.5°109.4°
RUP1C20116.2°120.2°
P1RUCL182.8°86.7°
P1RUCL282.8°78.5°
P1C20H22110.1°108.3°
P1C20H23110.1°108.1°
H1C1H2109.5°109.2°
H1C1H3109.4°109.3°
H2C1H3109.4°109.2°
H6C6H4109.5°106.7°
H8C7H9109.5°109.2°
H8C7H10109.5°109.4°
H9C7H10109.5°109.4°
H15C16H16109.4°107.8°
H17C17H18109.5°105.9°
H19C18H20109.5°107.8°
H22C20H23109.4°108.0°
H24C21H25109.4°105.9°
H26C19H27109.5°105.8°
CL1RUCL20.0°88.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C1C2C3C10172.4°177.7°
C1C2C3RU121.2°125.8°
C1C2C10RU119.8°125.6°
C1C2C3C4176.9°178.7°
C1C2RUC4142.1°144.8°
C1C2RUC5178.7°179.5°
C1C2C10C9176.9°179.0°
C1C2RUC9143.5°143.6°
C1C2RUP172.1°8.3°
C2C1H1H2120.0°120.5°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.3°
C1C2RUCL1176.2°88.5°
C1C2RUCL2176.2°97.8°
C1C2C3H521.5°1.6°
C1C2C10H1217.9°1.7°
C3C2C10RU52.5°56.7°
C2C3C4RU54.4°54.7°
C2C3C4H5155.3°179.7°
C2C3RUH5114.1°113.0°
C2C3C4C53.7°0.5°
C2C3RUC5103.0°104.4°
C3C2C10C94.5°1.3°
C2C3RUC965.7°67.7°
C2C3RUP1146.1°69.8°
C3C2C1H1180.0°106.9°
C3C2C1H260.0°13.2°
C3C2C1H360.0°133.3°
C3C2RUCL163.4°27.7°
C3C2RUCL263.4°146.0°
C2C3C4H7153.4°179.2°
C3C2C10H12154.4°179.4°
C10C2C3C44.5°1.0°
C2C10RUC463.6°67.4°
C2C10C9C53.8°0.0°
C2C10RUC5100.1°104.0°
C2C10C9RU57.2°55.0°
C2C10C9H12158.8°179.3°
C2C10RUH12115.3°113.3°
C2C10RUP110.9°85.3°
C10C2C1H17.5°70.8°
C10C2C1H2112.6°169.2°
C10C2C1H3127.4°49.1°
C10C2RUCL171.4°156.7°
C10C2RUCL271.4°17.1°
C10C2C3H5150.9°179.3°
C2C10C9H11156.9°179.4°
C2RUC5C464.7°64.5°
C2RUC4C974.4°74.1°
C2RUC4P1126.3°73.8°
C2RUC4CL1150.0°138.3°
C2RUC4CL2150.0°139.7°
C2RUC5C6178.5°179.9°
C2RUC9C5101.7°103.9°
C2RUC5P1119.5°110.4°
C2RUC5CL1177.1°127.1°
C2RUC5CL2177.1°143.8°
C2RUC9P1113.4°85.5°
C2RUC9CL1145.3°120.6°
C2RUC9CL2145.3°154.7°
C2RUP1C16120.8°89.0°
C2RUP1C184.9°151.5°
C2RUP1CL1126.7°128.2°
C2RUP1CL2126.7°142.6°
C2RUP1C20121.2°36.0°
RUC2C1H192.2°161.3°
RUC2C1H227.8°78.7°
RUC2C1H3147.8°41.4°
C2RUCL1CL290.0°176.3°
C2RUC4H7143.2°141.6°
C2RUC9H11144.9°141.6°
C4C3RUH5115.0°114.5°
C3C4C5RU51.4°53.3°
C3C4C5H7149.8°178.7°
C3C4RUH7113.1°112.7°
C3C4C5C6179.5°178.9°
C3C4C5C93.1°1.7°
C3C4RUC9104.5°102.9°
C3C4RUC1067.4°66.1°
C3C4RUP196.3°44.9°
C4C3RUCL10.1°69.1°
C4C3RUCL20.1°28.1°
C3RUC5C6144.4°143.6°
C3RUC9C564.9°66.7°
C3RUC5C1075.5°72.6°
C3RUC5P182.4°146.6°
C3RUC5CL1140.0°90.8°
C3RUC5CL2140.0°180.0°
C3RUC10C9101.5°101.7°
C3RUC9P176.6°122.7°
C3RUC9CL1108.5°83.4°
C3RUC9CL2108.5°168.1°
C3RUC10P116.6°116.1°
C3RUC10CL198.3°25.0°
C3RUC10CL298.3°159.8°
C3RUP1C1697.4°124.4°
C3RUP1C1818.5°116.1°
C3RUP1CL1103.3°92.8°
C3RUP1CL2103.3°178.0°
C3RUP1C20144.6°0.6°
C3RUCL1CL290.0°160.1°
C3RUC9H11178.2°178.8°
C3RUC10H12142.8°144.1°
C5C4RUH7112.7°114.0°
C4C5C6C9176.5°177.1°
C4C5C6RU95.0°91.8°
C4C5C9RU55.9°55.3°
C4C5C6C7110.0°66.1°
C4C5C9C103.2°1.4°
C4C5RUC10103.2°100.9°
C4C5RUP154.8°174.9°
C4C5C6H610.5°56.0°
C5C4RUCL145.9°117.2°
C5C4RUCL245.9°35.3°
C4C5C6H4129.5°171.1°
C5C4C3H5151.6°179.2°
C4C5C9H11156.3°179.1°
C4RUC10C965.4°65.0°
C4RUC9P140.8°159.2°
C4RUC9CL172.7°46.9°
C4RUC9CL272.7°131.7°
C4RUC10P152.7°152.8°
C4RUC10CL162.2°11.6°
C4RUC10CL262.2°123.1°
C4RUP1C1661.1°153.9°
C4RUP1C1854.8°86.6°
C4RUP1CL167.0°63.3°
C4RUP1CL267.0°152.5°
C4RUP1C20179.1°28.9°
C4RUCL1CL290.0°125.9°
C4RUC9H11142.4°144.7°
C4RUC10H12178.8°179.3°
C6C5C9RU127.6°127.4°
C5C6C7H6120.5°122.0°
C5C6C7H4120.5°123.1°
C6C5C9C10179.7°178.7°
C6C5RUC10140.1°143.7°
C6C5RUP162.0°69.7°
C5C6H6H4118.4°116.2°
C5C6C7H8180.0°175.4°
C5C6C7H960.0°64.8°
C5C6C7H1060.0°55.3°
C6C5RUCL14.4°52.8°
C6C5RUCL24.4°36.3°
C6C5C4H730.7°2.3°
C6C5C9H1127.2°1.8°
C9C5C6C766.5°116.7°
C5C9C10RU53.3°55.0°
C5C9C10H11153.0°179.5°
C5C9RUH11113.4°114.5°
C5C9RUP111.7°170.6°
C9C5C6H6173.0°121.2°
C9C5RUCL1115.7°167.9°
C9C5RUCL2115.7°78.7°
C9C5C6H454.0°6.1°
C9C5C4H7152.9°179.6°
C5C9C10H12155.0°179.4°
RUC5C6C7155.0°25.7°
C5RUC10P189.2°170.6°
C5RUC10CL125.7°48.2°
C5RUC10CL225.7°86.5°
C5RUP1C1631.4°19.5°
C5RUP1C1884.4°100.0°
C5RUP1CL137.4°123.3°
C5RUP1CL237.4°34.1°
C5RUP1C20149.5°144.5°
RUC5C6H684.5°147.8°
C5RUCL1CL290.0°93.8°
RUC5C6H434.5°97.1°
C5RUC3H5143.0°142.6°
C5RUC10H12144.6°142.7°
C7C6H6H4118.4°115.6°
C6C7H8H9120.0°120.1°
C6C7H8H10120.0°120.1°
C6C7H9H10120.0°120.2°
C16N1C17C19125.0°122.8°
C16N1C19N269.5°66.7°
N1C16P1H15119.8°121.8°
N1C16P1H16119.8°121.6°
C16N1C17N369.0°66.4°
N1C16P1C1857.2°49.0°
N1C16P1RU175.7°177.4°
N1C16P1C2050.0°48.1°
N1C16H15H16120.7°118.4°
C16N1C17H17170.6°56.0°
C16N1C17H1851.5°171.6°
C16N1C19H2651.0°171.2°
C16N1C19H27170.1°55.9°
C17N1C19N254.1°56.2°
C17N1C16P164.8°61.0°
N1C17N3H17120.4°122.5°
N1C17N3H18120.4°122.0°
N1C17N3C1869.9°66.3°
N1C17N3C2155.6°56.3°
C17N1C16H1555.0°177.7°
C17N1C16H16175.4°60.1°
N1C17H17H18118.7°117.6°
C17N1C19H26174.6°66.0°
C17N1C19H2766.3°178.7°
N1C19N2C2071.9°66.9°
N1C19N2C2152.2°55.8°
N1C19N2H26120.5°122.1°
N1C19N2H27120.5°122.5°
C19N1C16P159.1°60.1°
C19N1C17N356.0°56.4°
C19N1C16H15178.8°61.2°
C19N1C16H1660.7°178.8°
C19N1C17H1764.4°178.9°
C19N1C17H18176.5°65.6°
N1C19H26H27118.5°117.6°
C10C9RUH11113.5°112.7°
C9C10RUH12115.8°114.2°
C9C10RUP1118.1°142.2°
C10C9RUCL1176.7°149.4°
C10C9RUCL2176.7°125.8°
C9RUP1C1623.8°18.6°
C9RUP1C1892.1°138.0°
C9RUP1CL129.7°161.4°
C9RUP1CL229.7°72.2°
C9RUP1C20141.8°106.4°
C9RUCL1CL290.0°83.9°
C9RUC3H5179.8°179.3°
C9RUC4H7142.4°144.4°
C20N2C21C19124.1°122.7°
N2C20P1C1652.3°48.5°
N2C20P1C1851.4°48.0°
C20N2C21N371.8°67.3°
N2C20P1RU175.4°173.6°
N2C20P1H22119.6°121.9°
N2C20P1H23119.6°121.4°
N2C20H22H23121.2°118.4°
C20N2C21H2448.8°170.7°
C20N2C21H25167.6°55.2°
C20N2C19H2648.5°171.0°
C20N2C19H27167.6°55.6°
N2C21N3C1753.7°55.7°
N2C21N3C1872.0°67.0°
N2C21N3H24120.6°122.1°
N2C21N3H25120.6°122.5°
C21N2C20P161.0°60.5°
C21N2C20H22179.5°60.8°
C21N2C20H2358.7°178.6°
N2C21H24H25118.3°117.7°
C21N2C19H26172.6°66.3°
C21N2C19H2768.3°178.3°
C19N2C21N352.3°55.4°
C19N2C20P163.3°60.7°
C19N2C20H2256.2°177.9°
C19N2C20H23177.0°60.2°
C19N2C21H24172.9°66.6°
C19N2C21H2568.3°177.9°
N2C19H26H27118.5°117.7°
C10RUP1C16112.9°50.9°
C10RUP1C183.0°170.4°
C10RUP1CL1118.8°166.2°
C10RUP1CL2118.8°104.5°
C10RUP1C20129.1°74.1°
C10RUCL1CL290.0°137.3°
C10RUC3H5142.2°143.8°
C10RUC4H7179.5°178.8°
C16P1C18N355.5°49.1°
C16P1C18RU122.4°134.7°
C16P1C18C20106.0°97.0°
C16P1RUC20118.1°125.0°
P1C16H15H16120.7°116.9°
C16P1C18H19175.0°72.7°
C16P1C18H2064.0°170.4°
C16P1C20H2267.3°170.3°
C16P1C20H23171.9°72.9°
C16P1RUCL16.0°142.8°
C16P1RUCL26.0°53.6°
C17N3C18C21124.5°121.2°
C17N3C18P164.0°61.0°
N3C17H17H18118.7°117.6°
C17N3C18H19176.5°60.4°
C17N3C18H2055.5°177.7°
C17N3C21H24174.3°66.4°
C17N3C21H2566.9°178.2°
N3C18P1H19119.5°121.8°
N3C18P1H20119.5°121.4°
N3C18P1RU177.9°176.2°
N3C18P1C2050.6°48.0°
C18N3C17H17169.7°56.2°
C18N3C17H1850.6°171.6°
N3C18H19H20121.5°117.9°
C18N3C21H2448.6°170.9°
C18N3C21H25167.4°55.4°
P1C18N3C2160.5°60.3°
C18P1RUC20126.1°115.5°
C18P1C16H1562.6°170.7°
C18P1C16H16177.0°72.6°
P1C18H19H20121.5°117.3°
C18P1C20H22171.0°73.9°
C18P1C20H2368.3°169.4°
C18P1RUCL1121.8°23.4°
C18P1RUCL2121.8°65.9°
C21N3C17H1764.8°178.8°
C21N3C17H18176.0°65.7°
C21N3C18H1959.0°178.4°
C21N3C18H20180.0°61.1°
N3C21H24H25118.3°117.7°
RUP1C16H1564.5°60.9°
RUP1C16H1655.9°55.8°
RUP1C18H1962.6°62.0°
RUP1C18H2058.4°54.8°
RUP1C20H2255.8°51.7°
RUP1C20H2365.0°65.0°
P1RUCL1CL290.0°78.6°
P1RUC3H532.0°43.2°
P1RUC4H716.9°67.8°
P1RUC9H11101.6°56.1°
P1RUC10H12126.2°28.0°
C20P1C16H15169.8°73.7°
C20P1C16H1669.8°169.6°
C20P1C18H1968.9°169.8°
C20P1C18H20170.0°73.4°
P1C20H22H23121.2°116.8°
C20P1RUCL1112.1°92.2°
C20P1RUCL2112.1°178.6°
H1C1H2H3120.0°119.5°
H6C6C7H859.5°53.3°
H6C6C7H9179.5°173.2°
H6C6C7H1060.5°66.7°
H8C7H9H10120.0°119.8°
H8C7C6H459.5°61.5°
H9C7C6H460.5°58.3°
H10C7C6H4179.5°178.4°
CL1RUC3H5114.9°45.4°
CL1RUC4H766.8°3.3°
CL1RUC9H1169.8°97.8°
CL1RUC10H12118.9°169.1°
CL2RUC3H5114.9°142.6°
CL2RUC4H766.8°78.7°
CL2RUC9H1169.8°13.1°
CL2RUC10H12118.9°56.2°
H5C3C4H71.9°0.5°
H11C9C10H122.0°0.1°

259987

PDB entries from 2026-09-23

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