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SummaryGeometryPCM/PTMRelated PDB entries

A1JKD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
P1C16sing1.83Å1.83Å
C18P1sing1.84Å1.84Å
C20P1sing1.84Å1.84Å
P1RUsing2.31Å2.31Å
C16N1sing1.48Å1.48Å
N1C17sing1.48Å1.48Å
N1C19sing1.48Å1.48Å
C2C3sing1.45Å1.45Å
C2C10doub1.44Å1.44Å
C2RUsing2.24Å2.24Å
C19N2sing1.47Å1.47Å
N2C20sing1.48Å1.48Å
N2C21sing1.49Å1.49Å
C3C4doub1.43Å1.43Å
C3RUsing2.24Å2.24Å
C17N3sing1.47Å1.47Å
N3C18sing1.48Å1.48Å
C21N3sing1.48Å1.48Å
C4C5sing1.45Å1.45Å
C4RUsing2.27Å2.27Å
C6C5sing1.52Å1.52Å
C61C3sing1.50Å1.50Å
C62C10sing1.51Å1.51Å
C5C9doub1.46Å1.46Å
C5RUsing2.24Å2.24Å
C7C6sing1.54Å1.54Å
C8C6sing1.54Å1.54Å
C71C61sing1.54Å1.54Å
C81C61sing1.54Å1.54Å
C72C62sing1.54Å1.54Å
C82C62sing1.54Å1.54Å
C9C10sing1.43Å1.43Å
C9RUsing2.20Å2.20Å
C10RUsing2.19Å2.19Å
C16H16Asing1.10Å1.10Å
C16H16Bsing1.10Å1.10Å
C17H17Asing1.10Å1.10Å
C17H17Bsing1.10Å1.10Å
C18H18Asing1.10Å1.10Å
C18H18Bsing1.10Å1.10Å
C21H21Asing1.10Å1.10Å
C21H21Bsing1.10Å1.10Å
C6H6sing1.10Å1.10Å
C7H71sing1.10Å1.10Å
C7H72sing1.10Å1.10Å
C7H73sing1.10Å1.10Å
C8H81sing1.10Å1.10Å
C8H82sing1.10Å1.10Å
C8H83sing1.10Å1.10Å
C9H1sing1.10Å1.10Å
C61H61sing1.10Å1.10Å
C81H84sing1.10Å1.10Å
C81H85sing1.10Å1.10Å
C81H86sing1.10Å1.10Å
C71H74sing1.10Å1.10Å
C71H75sing1.10Å1.10Å
C71H76sing1.10Å1.10Å
C62H62sing1.10Å1.10Å
C82H87sing1.10Å1.10Å
C82H88sing1.10Å1.10Å
C82H89sing1.10Å1.10Å
C72H77sing1.10Å1.10Å
C72H78sing1.10Å1.10Å
C72H79sing1.10Å1.10Å
C20H20Asing1.10Å1.10Å
C20H20Bsing1.10Å1.10Å
C19H19Asing1.10Å1.10Å
C19H19Bsing1.10Å1.10Å
H2C2sing1.10Å1.10Å
H3C4sing1.10Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C16P1C18103.1°103.1°
C16P1C20100.9°100.9°
C16P1RU110.0°110.0°
P1C16N1105.8°105.8°
P1C16H16A110.4°110.4°
P1C16H16B110.4°110.4°
C18P1C20106.9°106.9°
C18P1RU116.1°116.1°
P1C18N3104.8°104.8°
P1C18H18A110.6°110.6°
P1C18H18B110.6°110.6°
C20P1RU117.8°117.8°
P1C20N2105.4°105.4°
P1C20H20A110.5°110.5°
P1C20H20B110.5°110.5°
P1RUC2140.8°140.8°
P1RUC3168.9°168.9°
P1RUC4135.0°135.0°
P1RUC5102.4°102.4°
P1RUC989.8°89.8°
P1RUC10106.7°106.7°
C16N1C17111.5°111.5°
C16N1C19110.9°110.9°
N1C16H16A110.4°110.4°
N1C16H16B110.4°110.4°
C17N1C19113.0°113.0°
N1C17N3112.8°112.8°
N1C17H17A108.6°108.6°
N1C17H17B108.6°108.6°
N1C19N2111.2°111.2°
N1C19H19A109.0°109.0°
N1C19H19B109.0°109.0°
C3C2C10115.3°115.3°
C3C2RU71.1°71.1°
C2C3C4124.3°124.3°
C2C3RU71.2°71.2°
C2C3C61118.4°118.4°
C3C2H2119.9°119.9°
C10C2RU68.9°68.9°
C2C10C62117.5°117.5°
C2C10C9123.1°123.1°
C2C10RU73.0°73.0°
C10C2H2120.0°120.0°
C2RUC337.7°37.7°
C2RUC468.5°68.5°
C2RUC581.8°81.8°
C2RUC969.4°69.4°
C2RUC1038.0°38.0°
RUC2H2108.8°108.8°
C19N2C20110.5°110.5°
C19N2C21110.8°110.8°
N2C19H19A109.0°109.0°
N2C19H19B109.0°109.0°
C20N2C21112.1°112.1°
N2C20H20A110.5°110.5°
N2C20H20B110.5°110.5°
N2C21N3114.9°114.9°
N2C21H21A108.1°108.1°
N2C21H21B108.1°108.1°
C4C3RU72.8°72.8°
C3C4C5118.5°118.5°
C3C4RU70.3°70.3°
C4C3C61117.3°117.3°
C3C4H3118.0°118.0°
C3RUC436.9°36.9°
RUC3C61130.5°130.5°
C3RUC567.0°67.0°
C3RUC979.7°79.7°
C3RUC1067.0°67.0°
C17N3C18111.1°111.1°
C17N3C21108.9°108.9°
N3C17H17A108.6°108.6°
N3C17H17B108.6°108.6°
C18N3C21112.7°112.7°
N3C18H18A110.6°110.6°
N3C18H18B110.6°110.6°
N3C21H21A108.1°108.1°
N3C21H21B108.1°108.1°
C5C4RU70.2°70.2°
C4C5C6120.9°120.9°
C4C5C9119.4°119.4°
C4C5RU72.3°72.3°
C5C4H3117.6°117.6°
C4RUC537.5°37.5°
C4RUC968.2°68.2°
C4RUC1080.2°80.2°
RUC4H3107.2°107.2°
C6C5C9119.7°119.7°
C6C5RU131.3°131.3°
C5C6C7115.2°115.2°
C5C6C8110.8°110.8°
C5C6H6107.0°107.0°
C3C61C71110.8°110.8°
C3C61C81110.4°110.4°
C3C61H61107.9°107.9°
C10C62C72112.3°112.3°
C10C62C82111.9°111.9°
C62C10C9119.4°119.4°
C62C10RU129.2°129.2°
C10C62H62107.8°107.8°
C9C5RU69.3°69.3°
C5C9C10119.4°119.4°
C5C9RU72.4°72.4°
C5C9H1117.8°117.8°
C5RUC938.2°38.2°
C5RUC1068.5°68.5°
C7C6C8109.8°109.8°
C7C6H6106.8°106.8°
C6C7H71109.5°109.5°
C6C7H72109.5°109.5°
C6C7H73109.5°109.5°
C8C6H6106.8°106.8°
C6C8H81109.5°109.5°
C6C8H82109.4°109.5°
C6C8H83109.5°109.5°
C71C61C81112.9°112.9°
C71C61H61107.3°107.3°
C61C71H74109.5°109.5°
C61C71H75109.5°109.5°
C61C71H76109.5°109.5°
C81C61H61107.4°107.3°
C61C81H84109.5°109.5°
C61C81H85109.5°109.5°
C61C81H86109.5°109.5°
C72C62C82109.5°109.5°
C72C62H62107.5°107.5°
C62C72H77109.5°109.5°
C62C72H78109.5°109.5°
C62C72H79109.5°109.5°
C82C62H62107.5°107.5°
C62C82H87109.5°109.5°
C62C82H88109.4°109.4°
C62C82H89109.5°109.5°
C10C9RU70.4°70.4°
C9C10RU71.5°71.5°
C10C9H1118.3°118.3°
C9RUC1038.1°38.1°
RUC9H1108.0°108.0°
H16AC16H16B109.5°109.5°
H17AC17H17B109.5°109.5°
H18AC18H18B109.5°109.5°
H21AC21H21B109.5°109.5°
H71C7H72109.5°109.5°
H71C7H73109.5°109.5°
H72C7H73109.5°109.5°
H81C8H82109.5°109.5°
H81C8H83109.5°109.5°
H82C8H83109.5°109.5°
H84C81H85109.5°109.5°
H84C81H86109.5°109.4°
H85C81H86109.5°109.5°
H74C71H75109.5°109.5°
H74C71H76109.5°109.5°
H75C71H76109.4°109.4°
H87C82H88109.5°109.5°
H87C82H89109.5°109.5°
H88C82H89109.5°109.5°
H77C72H78109.5°109.5°
H77C72H79109.4°109.4°
H78C72H79109.5°109.5°
H20AC20H20B109.5°109.5°
H19AC19H19B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C16P1C18C20105.8°105.8°
C16P1C18RU120.4°120.4°
C16P1C20RU119.7°119.7°
P1C16N1H16A119.4°119.4°
P1C16N1H16B119.4°119.4°
P1C16N1C1762.0°62.0°
P1C16N1C1964.9°64.9°
C16P1RUC295.8°95.8°
C16P1C20N256.2°56.2°
C16P1RUC3170.8°170.8°
C16P1C18N355.0°55.0°
C16P1RUC4150.2°150.2°
C16P1RUC5172.0°172.0°
C16P1RUC9151.6°151.6°
C16P1RUC10117.0°117.0°
P1C16H16AH16B121.7°121.7°
C16P1C18H18A64.3°64.3°
C16P1C18H18B174.3°174.3°
C16P1C20H20A175.6°175.6°
C16P1C20H20B63.1°63.1°
C18P1C20RU132.9°132.9°
C18P1C16N154.5°54.5°
C18P1RUC220.8°20.8°
C18P1C20N251.2°51.2°
C18P1RUC354.3°54.3°
P1C18N3C1763.7°63.7°
P1C18N3H18A119.3°119.3°
P1C18N3H18B119.2°119.2°
P1C18N3C2158.9°58.9°
C18P1RUC493.2°93.2°
C18P1RUC571.4°71.4°
C18P1RUC935.1°35.1°
C18P1RUC100.4°0.4°
C18P1C16H16A173.9°173.9°
C18P1C16H16B64.9°64.9°
P1C18H18AH18B122.1°122.1°
C18P1C20H20A68.2°68.2°
C18P1C20H20B170.5°170.5°
C20P1C16N155.9°55.9°
C20P1RUC2149.4°149.4°
P1C20N2C1965.5°65.5°
P1C20N2H20A119.4°119.4°
P1C20N2H20B119.4°119.4°
P1C20N2C2158.6°58.6°
C20P1RUC374.3°74.3°
C20P1C18N350.8°50.8°
C20P1RUC435.4°35.4°
C20P1RUC557.2°57.2°
C20P1RUC993.6°93.6°
C20P1RUC10128.2°128.2°
C20P1C16H16A63.5°63.5°
C20P1C16H16B175.3°175.3°
C20P1C18H18A170.1°170.1°
C20P1C18H18B68.4°68.4°
P1C20H20AH20B121.9°121.9°
RUP1C16N1179.0°179.0°
P1RUC3C289.0°89.0°
P1RUC10C2158.2°158.2°
P1RUC2C4136.0°136.0°
P1RUC2C599.7°99.7°
P1RUC2C962.2°62.2°
RUP1C20N2176.0°176.0°
P1RUC4C3168.4°168.4°
P1RUC3C518.2°18.2°
P1RUC3C919.6°19.6°
P1RUC3C1057.2°57.2°
RUP1C18N3175.4°175.4°
P1RUC5C4154.5°154.5°
P1RUC4C966.1°66.1°
P1RUC4C10103.9°103.9°
P1RUC5C638.5°38.5°
P1RUC3C61159.2°159.2°
P1RUC10C6246.2°46.2°
P1RUC9C5110.6°110.6°
P1RUC5C10103.3°103.3°
P1RUC10C967.1°67.1°
RUP1C16H16A61.6°61.6°
RUP1C16H16B59.5°59.5°
RUP1C18H18A56.1°56.1°
RUP1C18H18B65.4°65.4°
P1RUC9H13.7°3.7°
RUP1C20H20A64.7°64.7°
RUP1C20H20B56.6°56.6°
P1RUC2H281.6°81.6°
P1RUC4H377.3°77.3°
C16N1C17C19125.7°125.7°
C16N1C19N272.5°72.5°
C16N1C17N370.9°70.9°
N1C16H16AH16B121.7°121.7°
C16N1C17H17A168.7°168.7°
C16N1C17H17B49.6°49.6°
C16N1C19H19A47.8°47.8°
C16N1C19H19B167.3°167.3°
C17N1C19N253.6°53.6°
N1C17N3H17A120.5°120.5°
N1C17N3H17B120.5°120.5°
N1C17N3C1872.0°72.0°
N1C17N3C2152.7°52.7°
C17N1C16H16A178.6°178.6°
C17N1C16H16B57.4°57.4°
N1C17H17AH17B118.5°118.5°
C17N1C19H19A173.8°173.8°
C17N1C19H19B66.7°66.7°
N1C19N2H19A120.3°120.3°
N1C19N2H19B120.2°120.2°
N1C19N2C2072.9°72.9°
N1C19N2C2152.0°52.0°
C19N1C17N354.8°54.8°
C19N1C16H16A54.6°54.6°
C19N1C16H16B175.7°175.7°
C19N1C17H17A65.7°65.7°
C19N1C17H17B175.3°175.3°
N1C19H19AH19B119.2°119.2°
C3C2C10RU55.5°55.5°
C3C2C10H2155.6°155.6°
C3C2RUH2116.1°116.1°
C2C3C4RU51.8°51.8°
C2C3C4C61179.1°179.1°
C2C3RUC61111.8°111.8°
C2C3C4C51.1°1.1°
C3C2C10C62178.7°178.7°
C2C3RUC5107.2°107.2°
C2C3C61C713.5°3.5°
C2C3C61C81122.3°122.3°
C3C2C10C92.0°2.0°
C2C3RUC969.4°69.4°
C2C3C61H61120.7°120.8°
C2C3C4H3151.3°151.3°
C10C2RUH2115.8°115.8°
C10C2C3C41.9°1.9°
C2C10RUC467.6°67.6°
C10C2C3C61179.0°179.0°
C2C10C62C9179.4°179.4°
C2C10C62RU90.0°90.0°
C2C10C9C51.2°1.2°
C2C10RUC5104.7°104.7°
C2C10C62C72150.7°150.7°
C2C10C62C8227.0°27.0°
C2C10C9RU54.2°54.2°
C2C10C9H1154.5°154.5°
C2C10C62H6291.0°91.0°
C2RUC5C465.2°65.2°
C2RUC4C975.5°75.5°
C2RUC5C6178.9°178.9°
C2RUC9C5103.4°103.4°
C2RUC9H1142.3°142.3°
C2RUC4H3141.1°141.1°
C19N2C20C21124.1°124.1°
C19N2C21N354.1°54.1°
C19N2C21H21A174.8°174.8°
C19N2C21H21B66.8°66.8°
C19N2C20H20A175.1°175.1°
C19N2C20H20B53.8°53.8°
N2C19H19AH19B119.2°119.2°
C20N2C21N369.9°69.9°
C20N2C21H21A50.8°50.8°
C20N2C21H21B169.2°169.2°
N2C20H20AH20B121.9°121.9°
C20N2C19H19A47.4°47.4°
C20N2C19H19B166.8°166.8°
N2C21N3C1753.5°53.5°
N2C21N3C1870.3°70.3°
N2C21N3H21A120.8°120.8°
N2C21N3H21B120.8°120.8°
N2C21H21AH21B117.5°117.5°
C21N2C20H20A60.8°60.8°
C21N2C20H20B178.0°178.0°
C21N2C19H19A172.3°172.3°
C21N2C19H19B68.3°68.3°
C4C3RUC61111.5°111.5°
C3C4C5RU52.9°52.9°
C3C4C5H3152.5°152.5°
C3C4RUH3114.3°114.3°
C3C4C5C6179.0°179.0°
C3C4C5C90.1°0.1°
C4C3C61C71175.6°175.6°
C4C3C61C8158.6°58.6°
C3C4RUC9102.3°102.3°
C3C4RUC1064.5°64.5°
C4C3C61H6158.4°58.4°
C4C3C2H2153.7°153.7°
C3RUC5C6145.0°145.0°
C3RUC10C62143.5°143.5°
C3RUC9C565.7°65.7°
C3RUC5C1073.2°73.2°
RUC3C61C7185.4°85.4°
RUC3C61C81148.8°148.8°
C3RUC10C9103.2°103.2°
C3RUC9H1180.0°180.0°
RUC3C61H6131.8°31.8°
C17N3C18C21122.6°122.6°
N3C17H17AH17B118.5°118.5°
C17N3C18H18A55.6°55.6°
C17N3C18H18B177.0°177.0°
C17N3C21H21A174.3°174.3°
C17N3C21H21B67.3°67.3°
C18N3C17H17A167.5°167.5°
C18N3C17H17B48.4°48.4°
N3C18H18AH18B122.1°122.1°
C18N3C21H21A50.5°50.5°
C18N3C21H21B168.9°168.9°
C21N3C17H17A67.8°67.8°
C21N3C17H17B173.2°173.2°
C21N3C18H18A178.2°178.2°
C21N3C18H18B60.4°60.4°
N3C21H21AH21B117.6°117.6°
C5C4RUH3113.8°113.8°
C4C5C6C9179.1°179.1°
C4C5C6RU93.2°93.2°
C5C4C3C61179.8°179.8°
C4C5C9RU54.2°54.2°
C4C5C6C71.1°1.1°
C4C5C6C8124.4°124.4°
C4C5C9C100.2°0.2°
C4C5RUC10102.2°102.2°
C4C5C6H6119.6°119.6°
C4C5C9H1155.7°155.7°
C4RUC10C62179.6°179.6°
C4RUC10C967.1°67.1°
C4RUC9H1143.4°143.4°
C4RUC2H2142.4°142.4°
C6C5C9RU126.7°126.7°
C5C6C7C8126.0°126.0°
C5C6C7H6118.6°118.6°
C5C6C8H6116.2°116.2°
C6C5C9C10179.0°179.0°
C6C5RUC10141.8°141.8°
C5C6C7H71180.0°180.0°
C5C6C7H7260.0°60.0°
C5C6C7H7360.0°60.0°
C5C6C8H81180.0°180.0°
C5C6C8H8260.0°60.0°
C5C6C8H8360.0°60.0°
C6C5C9H125.2°25.2°
C6C5C4H328.5°28.5°
C61C3RUC5141.0°141.0°
C3C61C71C81124.4°124.4°
C3C61C71H61117.6°117.6°
C3C61C81H61117.3°117.3°
C61C3RUC9178.8°178.8°
C61C3RUC10143.6°143.6°
C3C61C81H84180.0°180.0°
C3C61C81H8560.0°60.0°
C3C61C81H8660.0°60.0°
C3C61C71H74180.0°180.0°
C3C61C71H7560.0°60.0°
C3C61C71H7660.0°60.0°
C61C3C2H225.4°25.4°
C61C3C4H327.8°27.8°
C62C10C9C5179.5°179.5°
C62C10RUC5143.3°143.3°
C10C62C72C82125.0°125.0°
C10C62C72H62118.5°118.5°
C10C62C82H62118.3°118.3°
C62C10C9RU125.2°125.2°
C62C10C9H124.8°24.8°
C10C62C82H87180.0°180.0°
C10C62C82H8860.0°60.0°
C10C62C82H8960.0°60.0°
C10C62C72H77180.0°180.0°
C10C62C72H7860.0°60.0°
C10C62C72H7960.0°60.0°
C62C10C2H225.7°25.7°
C9C5C6C7179.8°179.8°
C9C5C6C854.8°54.8°
C5C9C10RU55.3°55.3°
C5C9C10H1155.7°155.7°
C5C9RUH1114.3°114.3°
C9C5C6H661.3°61.3°
C9C5C4H3152.4°152.4°
RUC5C6C792.1°92.1°
RUC5C6C8142.5°142.5°
RUC5C6H626.4°26.4°
C5RUC2H2178.8°178.8°
C7C6C8H6115.4°115.4°
C6C7H71H72120.0°120.0°
C6C7H71H73120.0°120.0°
C6C7H72H73120.0°120.0°
C7C6C8H8151.5°51.5°
C7C6C8H82171.6°171.6°
C7C6C8H8368.5°68.5°
C8C6C7H7154.0°54.0°
C8C6C7H7266.0°66.0°
C8C6C7H73174.0°174.0°
C6C8H81H82120.0°120.0°
C6C8H81H83120.0°120.0°
C6C8H82H83120.0°120.0°
C71C61C81H61118.0°118.1°
C71C61C81H8455.4°55.4°
C71C61C81H85175.4°175.4°
C71C61C81H8664.6°64.6°
C61C71H74H75120.0°120.0°
C61C71H74H76120.0°120.0°
C61C71H75H76120.0°120.0°
C61C81H84H85120.0°120.0°
C61C81H84H86120.0°120.0°
C61C81H85H86120.0°120.0°
C81C61C71H7455.6°55.6°
C81C61C71H7564.4°64.4°
C81C61C71H76175.6°175.7°
C72C62C82H62116.5°116.5°
C72C62C10C929.9°29.9°
C72C62C10RU119.3°119.3°
C72C62C82H8754.8°54.8°
C72C62C82H88174.7°174.7°
C72C62C82H8965.3°65.3°
C62C72H77H78120.0°120.0°
C62C72H77H79120.0°120.0°
C62C72H78H79120.0°120.0°
C82C62C10C9153.6°153.6°
C82C62C10RU117.0°117.0°
C62C82H87H88120.0°120.0°
C62C82H87H89120.0°120.0°
C62C82H88H89120.0°120.0°
C82C62C72H7755.0°55.0°
C82C62C72H7865.1°65.0°
C82C62C72H79175.0°175.0°
C10C9RUH1114.4°114.4°
C9C10C62H6288.4°88.4°
C9C10C2H2153.7°153.7°
C9RUC2H2143.7°143.7°
C9RUC4H3143.4°143.4°
RUC10C62H621.0°1.0°
C10RUC4H3178.8°178.8°
H6C6C7H7161.4°61.4°
H6C6C7H72178.6°178.6°
H6C6C7H7358.6°58.6°
H6C6C8H8163.8°63.8°
H6C6C8H8256.2°56.2°
H6C6C8H83176.2°176.2°
H71C7H72H73120.0°120.0°
H81C8H82H83120.0°120.0°
H61C61C81H8462.7°62.7°
H61C61C81H8557.3°57.3°
H61C61C81H86177.3°177.3°
H61C61C71H7462.4°62.4°
H61C61C71H75177.5°177.5°
H61C61C71H7657.6°57.6°
H84C81H85H86120.0°120.0°
H74C71H75H76120.0°120.0°
H62C62C82H8761.7°61.7°
H62C62C82H8858.3°58.3°
H62C62C82H89178.2°178.2°
H62C62C72H7761.5°61.5°
H62C62C72H78178.5°178.5°
H62C62C72H7958.5°58.5°
H87C82H88H89120.0°120.0°
H77C72H78H79119.9°120.0°

258009

PDB entries from 2026-08-12

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