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SummaryGeometryPCM/PTMRelated PDB entries

A1JKO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
P1C16sing1.84Å1.84Å
C18P1sing1.84Å1.84Å
C20P1sing1.84Å1.84Å
P1RUsing2.33Å2.33Å
C16N1sing1.48Å1.48Å
N1C17sing1.48Å1.48Å
N1C19sing1.48Å1.48Å
C2C3sing1.45Å1.45Å
C2C10doub1.45Å1.45Å
C2RUsing2.23Å2.23Å
C19N2sing1.49Å1.49Å
N2C20sing1.48Å1.48Å
N2C21sing1.48Å1.48Å
C3C4doub1.44Å1.44Å
C3RUsing2.24Å2.24Å
C17N3sing1.49Å1.49Å
N3C18sing1.48Å1.48Å
C21N3sing1.48Å1.48Å
C4C5doub1.45Å1.45Å
C4RUsing2.25Å2.25Å
C5C9doub1.45Å1.45Å
C5RUsing2.25Å2.25Å
C9C10sing1.44Å1.44Å
C9RUsing2.19Å2.19Å
C10RUsing2.19Å2.19Å
C16H16Asing1.10Å1.10Å
C16H16Bsing1.10Å1.10Å
C17H17Asing1.10Å1.10Å
C17H17Bsing1.10Å1.10Å
C18H18Asing1.10Å1.10Å
C18H18Bsing1.10Å1.10Å
C19H19Asing1.10Å1.10Å
C19H19Bsing1.10Å1.10Å
C20H20Asing1.10Å1.10Å
C20H20Bsing1.10Å1.10Å
C21H21Asing1.10Å1.10Å
C21H21Bsing1.10Å1.10Å
C3H1sing1.10Å1.10Å
C9H5sing1.10Å1.10Å
H2C2sing1.10Å1.10Å
H3C4sing1.10Å1.10Å
H4C5sing1.10Å1.10Å
H6C10sing1.10Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C16P1C18104.9°104.9°
C16P1C20104.4°104.4°
C16P1RU117.0°117.0°
P1C16N1104.6°104.6°
P1C16H16A110.7°110.7°
P1C16H16B110.7°110.7°
C18P1C20101.0°101.0°
C18P1RU114.7°114.7°
P1C18N3105.8°105.8°
P1C18H18A110.4°110.4°
P1C18H18B110.4°110.4°
C20P1RU112.9°112.9°
P1C20N2106.7°106.7°
P1C20H20A110.2°110.2°
P1C20H20B110.2°110.2°
P1RUC289.2°89.2°
P1RUC3114.7°114.7°
P1RUC4151.6°151.6°
P1RUC5161.0°161.0°
P1RUC9122.9°122.9°
P1RUC1094.0°94.0°
C16N1C17111.7°111.7°
C16N1C19112.3°112.3°
N1C16H16A110.7°110.7°
N1C16H16B110.7°110.7°
C17N1C19109.3°109.3°
N1C17N3114.1°114.1°
N1C17H17A108.3°108.3°
N1C17H17B108.3°108.3°
N1C19N2114.2°114.2°
N1C19H19A108.3°108.3°
N1C19H19B108.3°108.3°
C3C2C10115.8°115.8°
C3C2RU71.5°71.5°
C2C3C4122.1°122.1°
C2C3RU70.6°70.6°
C2C3H1115.8°115.8°
C3C2H2120.0°120.0°
C10C2RU69.2°69.2°
C2C10C9122.2°122.2°
C2C10RU72.4°72.4°
C10C2H2119.9°119.9°
C2C10H6116.2°116.2°
C2RUC337.9°37.9°
C2RUC468.7°68.7°
C2RUC583.4°83.4°
C2RUC969.8°69.8°
C2RUC1038.4°38.4°
RUC2H2108.9°109.0°
C19N2C20110.5°110.5°
C19N2C21111.5°111.5°
N2C19H19A108.3°108.3°
N2C19H19B108.3°108.3°
C20N2C21110.9°110.9°
N2C20H20A110.1°110.1°
N2C20H20B110.2°110.2°
N2C21N3111.8°111.8°
N2C21H21A108.9°108.9°
N2C21H21B108.9°108.9°
C4C3RU71.8°71.8°
C3C4C5121.9°121.9°
C3C4RU70.8°70.8°
C4C3H1116.0°116.0°
C3C4H3115.9°115.9°
C3RUC437.4°37.4°
C3RUC568.5°68.5°
C3RUC980.0°80.0°
C3RUC1067.5°67.5°
RUC3H1106.4°106.4°
C17N3C18110.7°110.7°
C17N3C21111.8°111.8°
N3C17H17A108.3°108.3°
N3C17H17B108.3°108.3°
C18N3C21111.5°111.5°
N3C18H18A110.4°110.4°
N3C18H18B110.4°110.4°
N3C21H21A108.9°108.9°
N3C21H21B108.9°108.9°
C5C4RU71.0°71.0°
C4C5C9116.1°116.1°
C4C5RU71.5°71.5°
C5C4H3115.8°115.8°
C4C5H4119.5°119.5°
C4RUC537.6°37.6°
C4RUC967.2°67.2°
C4RUC1079.8°79.8°
RUC4H3106.3°106.3°
C9C5RU68.9°68.9°
C5C9C10121.9°121.9°
C5C9RU73.0°73.0°
C5C9H5116.5°116.5°
C9C5H4119.5°119.5°
C5RUC938.1°38.1°
C5RUC1069.4°69.4°
RUC5H4108.5°108.5°
C10C9RU70.6°70.6°
C9C10RU71.0°71.0°
C10C9H5116.7°116.7°
C9C10H6116.5°116.5°
C9RUC1038.3°38.3°
RUC9H5107.1°107.1°
RUC10H6107.0°107.0°
H16AC16H16B109.5°109.5°
H17AC17H17B109.5°109.5°
H18AC18H18B109.5°109.5°
H19AC19H19B109.5°109.5°
H20AC20H20B109.5°109.5°
H21AC21H21B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C16P1C18C20108.4°108.4°
C16P1C18RU129.8°129.8°
C16P1C20RU128.2°128.2°
P1C16N1H16A119.2°119.2°
P1C16N1H16B119.2°119.2°
P1C16N1C1761.6°61.6°
P1C16N1C1961.6°61.6°
C16P1RUC255.4°55.4°
C16P1C20N253.5°53.5°
C16P1RUC326.5°26.5°
C16P1C18N353.3°53.3°
C16P1RUC417.5°17.5°
C16P1RUC5122.1°122.1°
C16P1RUC9120.5°120.5°
C16P1RUC1093.5°93.5°
P1C16H16AH16B122.3°122.3°
C16P1C18H18A66.1°66.1°
C16P1C18H18B172.8°172.8°
C16P1C20H20A173.1°173.1°
C16P1C20H20B66.1°66.1°
C18P1C20RU123.0°123.0°
C18P1C16N153.0°53.0°
C18P1RUC268.2°68.2°
C18P1C20N255.2°55.2°
C18P1RUC397.1°97.1°
P1C18N3C1760.5°60.5°
P1C18N3H18A119.4°119.4°
P1C18N3H18B119.4°119.4°
P1C18N3C2164.5°64.5°
C18P1RUC4106.1°106.1°
C18P1RUC51.5°1.5°
C18P1RUC93.1°3.1°
C18P1RUC1030.1°30.1°
C18P1C16H16A172.2°172.2°
C18P1C16H16B66.2°66.2°
P1C18H18AH18B121.7°121.7°
C18P1C20H20A64.3°64.3°
C18P1C20H20B174.8°174.8°
C20P1C16N152.8°52.8°
C20P1RUC2176.7°176.7°
P1C20N2C1960.3°60.3°
P1C20N2H20A119.6°119.6°
P1C20N2H20B119.6°119.6°
P1C20N2C2163.9°63.9°
C20P1RUC3147.8°147.8°
C20P1C18N355.0°55.0°
C20P1RUC4138.8°138.8°
C20P1RUC5116.6°116.6°
C20P1RUC9118.1°118.1°
C20P1RUC10145.2°145.2°
C20P1C16H16A66.4°66.4°
C20P1C16H16B172.1°172.1°
C20P1C18H18A174.4°174.4°
C20P1C18H18B64.4°64.4°
P1C20H20AH20B121.3°121.3°
RUP1C16N1178.5°178.5°
P1RUC3C251.9°51.9°
P1RUC10C283.6°83.6°
P1RUC2C4161.7°161.7°
P1RUC2C5162.5°162.5°
P1RUC2C9125.7°125.7°
RUP1C20N2178.3°178.3°
P1RUC4C313.5°13.5°
P1RUC3C5159.6°159.6°
P1RUC3C9121.7°121.7°
P1RUC3C1083.9°83.9°
RUP1C18N3176.8°176.8°
P1RUC5C4131.0°131.0°
P1RUC4C9117.4°117.4°
P1RUC4C1079.5°79.5°
P1RUC9C5179.2°179.2°
P1RUC5C1030.6°30.6°
P1RUC10C9142.0°142.0°
RUP1C16H16A59.3°59.3°
RUP1C16H16B62.3°62.3°
RUP1C18H18A63.8°63.8°
RUP1C18H18B57.4°57.4°
RUP1C20H20A58.7°58.7°
RUP1C20H20B62.2°62.2°
P1RUC3H160.3°60.3°
P1RUC9H566.0°66.0°
P1RUC2H218.2°18.1°
P1RUC4H398.9°98.9°
P1RUC5H4113.2°113.2°
P1RUC10H629.2°29.2°
C16N1C17C19124.8°124.8°
C16N1C19N271.8°71.8°
C16N1C17N372.4°72.4°
N1C16H16AH16B122.3°122.3°
C16N1C17H17A166.9°166.9°
C16N1C17H17B48.3°48.3°
C16N1C19H19A48.9°48.9°
C16N1C19H19B167.5°167.5°
C17N1C19N252.6°52.6°
N1C17N3H17A120.7°120.7°
N1C17N3H17B120.7°120.7°
N1C17N3C1871.2°71.2°
N1C17N3C2153.7°53.7°
C17N1C16H16A179.2°179.2°
C17N1C16H16B57.6°57.6°
N1C17H17AH17B117.9°117.9°
C17N1C19H19A173.3°173.3°
C17N1C19H19B68.1°68.1°
N1C19N2H19A120.7°120.7°
N1C19N2H19B120.7°120.7°
N1C19N2C2069.9°69.9°
N1C19N2C2153.9°53.9°
C19N1C17N352.4°52.4°
C19N1C16H16A57.7°57.7°
C19N1C16H16B179.2°179.2°
C19N1C17H17A68.3°68.3°
C19N1C17H17B173.1°173.1°
N1C19H19AH19B117.8°117.8°
C3C2C10RU56.0°56.0°
C3C2C10H2156.5°156.5°
C3C2RUH2116.2°116.3°
C2C3C4RU51.8°51.8°
C2C3C4H1151.5°151.5°
C2C3RUH1112.2°112.2°
C2C3C4C50.3°0.3°
C2C3RUC5107.7°107.7°
C3C2C10C93.0°3.0°
C2C3RUC969.8°69.8°
C2C3C4H3151.0°151.0°
C3C2C10H6156.7°156.7°
C10C2RUH2115.7°115.7°
C10C2C3C42.5°2.5°
C2C10RUC468.5°68.5°
C2C10C9C50.8°0.8°
C2C10RUC5106.0°106.0°
C2C10C9RU53.5°53.5°
C2C10C9H6153.6°153.6°
C2C10RUH6112.8°112.8°
C10C2C3H1154.1°154.1°
C2C10C9H5153.5°153.5°
C2RUC5C463.4°63.4°
C2RUC4C976.2°76.2°
C2RUC9C5105.6°105.6°
C2RUC9H5141.2°141.2°
C2RUC4H3140.1°140.1°
C2RUC5H4179.2°179.2°
C19N2C20C21124.2°124.2°
C19N2C21N352.5°52.5°
N2C19H19AH19B117.8°117.8°
C19N2C20H20A179.8°179.8°
C19N2C20H20B59.3°59.3°
C19N2C21H21A172.8°172.9°
C19N2C21H21B67.8°67.8°
C20N2C21N371.1°71.1°
C20N2C19H19A50.7°50.7°
C20N2C19H19B169.4°169.4°
N2C20H20AH20B121.3°121.3°
C20N2C21H21A49.2°49.2°
C20N2C21H21B168.6°168.6°
N2C21N3C1752.5°52.5°
N2C21N3C1871.9°71.9°
N2C21N3H21A120.3°120.3°
N2C21N3H21B120.4°120.3°
C21N2C19H19A174.6°174.6°
C21N2C19H19B66.8°66.8°
C21N2C20H20A55.7°55.7°
C21N2C20H20B176.5°176.5°
N2C21H21AH21B119.0°118.9°
C4C3RUH1112.6°112.6°
C3C4C5RU51.4°51.4°
C3C4C5H3150.7°150.7°
C3C4RUH3112.4°112.4°
C3C4C5C92.6°2.6°
C3C4RUC9103.9°103.9°
C3C4RUC1066.0°66.0°
C4C3C2H2154.0°154.0°
C3C4C5H4152.7°152.7°
C3RUC9C567.7°67.7°
C3RUC5C1073.0°73.0°
C3RUC10C9102.9°102.9°
C3RUC9H5179.1°179.1°
C3RUC5H4143.1°143.1°
C3RUC10H6144.3°144.3°
C17N3C18C21125.1°125.1°
N3C17H17AH17B117.9°117.9°
C17N3C18H18A58.9°58.9°
C17N3C18H18B179.9°179.9°
C17N3C21H21A172.9°172.8°
C17N3C21H21B67.8°67.8°
C18N3C17H17A168.1°168.1°
C18N3C17H17B49.5°49.5°
N3C18H18AH18B121.7°121.7°
C18N3C21H21A48.4°48.4°
C18N3C21H21B167.7°167.7°
C21N3C17H17A67.0°67.0°
C21N3C17H17B174.4°174.4°
C21N3C18H18A176.1°176.1°
C21N3C18H18B54.9°54.9°
N3C21H21AH21B118.9°119.0°
C5C4RUH3112.3°112.3°
C4C5C9RU55.3°55.3°
C4C5C9H4155.2°155.2°
C4C5RUH4115.8°115.8°
C4C5C9C102.0°2.0°
C4C5RUC10100.3°100.3°
C5C4C3H1151.3°151.3°
C4C5C9H5156.4°156.4°
C4RUC10C966.0°66.0°
C4RUC9H5144.2°144.2°
C4RUC2H2143.6°143.6°
C4RUC10H6178.8°178.8°
C9C5RUH4115.3°115.3°
C5C9C10RU54.3°54.3°
C5C9C10H5154.3°154.3°
C5C9RUH5113.2°113.2°
C9C5C4H3153.3°153.3°
C5C9C10H6154.4°154.4°
C5RUC3H1140.1°140.1°
C5RUC2H2179.4°179.4°
C5RUC10H6141.2°141.2°
C10C9RUH5113.0°113.0°
C9C10RUH6112.8°112.8°
C9C10C2H2153.4°153.5°
C10C9C5H4153.2°153.2°
C9RUC3H1177.9°177.9°
C9RUC2H2143.9°143.8°
C9RUC4H3143.7°143.7°
C10RUC3H1144.2°144.2°
C10RUC4H3178.4°178.4°
C10RUC5H4143.9°143.9°
H1C3C2H22.4°2.4°
H1C3C4H30.6°0.6°
H5C9C5H41.1°1.1°
H5C9C10H60.1°0.1°
H2C2C10H60.2°0.2°
H3C4C5H41.9°1.9°

258009

PDB entries from 2026-08-12

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