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SummaryGeometryRelated PDB entries

WX4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C02O01sing1.43Å1.40Å
C02C03sing1.51Å1.54Å
C03N07sing1.34Å1.32ÅAromatic
C03C04doub1.35Å1.38ÅAromatic
N07N06doub1.29Å1.36ÅAromatic
C04N05sing1.35Å1.31ÅAromatic
N06N05sing1.29Å1.35ÅAromatic
N05C08sing1.46Å1.47Å
C08C09sing1.53Å1.45Å
C08C13sing1.53Å1.52Å
C09C10sing1.53Å1.46Å
C10C11sing1.53Å1.54Å
C13N12sing1.47Å1.50Å
C11N12sing1.47Å1.55Å
N12C14sing1.38Å1.44Å
C14C22doub1.40Å1.40ÅAromatic
C14N15sing1.33Å1.32ÅAromatic
C21C22sing1.46Å1.41ÅAromatic
C21C20doub1.34Å1.37ÅAromatic
C22C18sing1.41Å1.36ÅAromatic
N15C16doub1.32Å1.32ÅAromatic
C20N19sing1.37Å1.32ÅAromatic
C18N19sing1.37Å1.36ÅAromatic
C18N17doub1.33Å1.35ÅAromatic
C16N17sing1.32Å1.31ÅAromatic
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C20H201sing1.08Å1.08Å
C21H211sing1.08Å1.08Å
C02H021sing1.09Å1.10Å
C02H022sing1.09Å1.10Å
C04H041sing1.08Å1.08Å
C08H081sing1.09Å1.10Å
C09H091sing1.09Å1.10Å
C09H092sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C16H161sing1.08Å1.08Å
N19H191sing0.97Å1.00Å
O01H011sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O01C02C03113.4°109.5°
O01C02H021108.5°109.5°
O01C02H022108.5°109.5°
C02O01H011109.5°114.0°
C02C03N07125.0°126.7°
C02C03C04125.8°126.8°
C03C02H021108.5°109.5°
C03C02H022108.5°109.5°
N07C03C04109.2°106.5°
C03N07N06105.6°108.9°
C03C04N05108.0°106.2°
C03C04H041126.0°126.9°
N07N06N05110.1°110.2°
C04N05N06107.1°108.3°
C04N05C08126.2°125.9°
N05C04H041126.0°127.0°
N06N05C08126.7°125.9°
N05C08C09121.4°109.5°
N05C08C1399.0°109.5°
N05C08H081107.0°109.6°
C09C08C13114.5°109.3°
C08C09C10112.0°109.2°
C09C08H081107.4°109.5°
C08C09H091108.8°109.5°
C08C09H092108.9°109.5°
C08C13N12110.8°109.5°
C08C13H132109.1°109.4°
C08C13H131109.1°109.4°
C13C08H081106.4°109.5°
C09C10C11110.0°109.3°
C09C10H101109.3°109.5°
C09C10H102109.3°109.6°
C10C09H091108.8°109.5°
C10C09H092108.8°109.5°
C10C11N12114.7°109.6°
C11C10H101109.3°109.5°
C11C10H102109.3°109.5°
C10C11H111108.1°109.4°
C10C11H112108.2°109.5°
C13N12C11111.9°111.2°
C13N12C14127.1°111.0°
N12C13H132109.1°109.5°
N12C13H131109.1°109.5°
C11N12C14121.0°111.0°
N12C11H111108.1°109.5°
N12C11H112108.2°109.5°
N12C14C22119.4°120.9°
N12C14N15121.3°120.8°
C22C14N15119.2°118.3°
C14C22C21134.7°135.1°
C14C22C18118.1°118.7°
C14N15C16120.2°121.0°
C22C21C20107.3°106.8°
C21C22C18107.2°106.2°
C22C21H211126.4°126.6°
C21C20N19107.3°109.9°
C21C20H201126.4°125.0°
C20C21H211126.4°126.7°
C22C18N19106.7°107.2°
C22C18N17120.0°118.5°
N15C16N17122.8°122.7°
N15C16H161118.6°118.7°
C20N19C18111.6°110.0°
N19C20H201126.4°125.1°
C20N19H191124.2°125.0°
N19C18N17133.3°134.3°
C18N19H191124.2°125.0°
C18N17C16119.7°120.7°
N17C16H161118.6°118.6°
H101C10H102109.4°109.5°
H132C13H131109.5°109.4°
H021C02H022109.5°109.4°
H091C09H092109.5°109.6°
H111C11H112109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O01C02C03H021120.6°120.0°
O01C02C03H022120.6°120.0°
O01C02C03N0735.1°180.0°
O01C02C03C04146.2°0.3°
O01C02H021H022118.2°119.9°
C02C03N07C04178.9°179.8°
C02C03N07N06179.1°179.8°
C02C03C04N05178.5°180.0°
C03C02H021H022118.2°120.0°
C02C03C04H0411.6°0.0°
C03C02O01H011180.0°180.0°
N07C03C04N050.4°0.2°
C03N07N06N050.8°0.4°
N07C03C02H021155.7°60.0°
N07C03C02H02285.5°60.0°
N07C03C04H041179.6°179.8°
C04C03N07N060.2°0.4°
C03C04N05H041180.0°180.0°
C03C04N05N060.9°0.0°
C03C04N05C08178.8°179.9°
C04C03C02H02125.7°120.3°
C04C03C02H02293.2°119.8°
N07N06N05C041.1°0.2°
N07N06N05C08179.0°179.7°
C04N05N06C08177.9°179.9°
C04N05C08C093.7°35.0°
C04N05C08C13122.4°84.8°
C04N05C08H081127.3°155.1°
N06N05C08C09178.7°145.0°
N06N05C08C1355.2°95.3°
N06N05C04H041179.1°180.0°
N06N05C08H08155.2°24.8°
N05C08C09C13118.7°119.9°
N05C08C09H081123.4°120.2°
N05C08C13H081110.8°120.2°
N05C08C09C10175.8°177.6°
N05C08C13N12150.2°179.1°
N05C08C13H13289.6°59.1°
N05C08C13H13130.0°60.8°
C08N05C04H0411.2°0.1°
N05C08C09H09163.9°62.5°
N05C08C09H09255.4°57.7°
C09C08C13H081118.4°119.9°
C08C09C10H091120.4°119.9°
C08C09C10H092120.4°119.9°
C08C09C10C1146.9°57.7°
C09C08C13N1219.4°59.1°
C08C09C10H101167.0°177.6°
C08C09C10H10273.2°62.3°
C09C08C13H132139.6°60.9°
C09C08C13H131100.8°179.2°
C08C09H091H092118.9°120.1°
C13C08C09C1065.6°57.6°
C08C13N12H132120.2°120.0°
C08C13N12H131120.2°120.0°
C08C13N12C1136.1°61.7°
C08C13N12C14145.3°174.1°
C08C13H132H131119.4°119.9°
C13C08C09H09154.8°177.5°
C13C08C09H092174.1°62.2°
C09C10C11H101120.1°120.0°
C09C10C11H102120.1°120.0°
C09C10C11N1210.0°59.2°
C09C10H101H102119.7°120.2°
C10C09C08H08152.3°62.2°
C10C09H091H092118.8°120.2°
C09C10C11H111130.8°60.8°
C09C10C11H112110.8°179.2°
C10C11N12C1352.8°61.7°
C10C11N12H111120.8°120.0°
C10C11N12H112120.8°120.0°
C10C11N12C14128.6°174.1°
C11C10H101H102119.7°120.0°
C11C10C09H09173.5°177.5°
C11C10C09H092167.3°62.2°
C10C11H111H112117.6°120.0°
C13N12C11C14178.6°124.2°
C13N12C14C2286.4°180.0°
C13N12C14N1597.0°0.0°
N12C13H132H131119.4°120.1°
N12C13C08H08199.0°60.8°
C13N12C11H111173.6°58.3°
C13N12C11H11268.0°178.3°
C11N12C14C2295.2°55.7°
C11N12C14N1581.4°124.2°
N12C11C10H101110.1°179.2°
N12C11C10H102130.1°60.8°
C11N12C13H13284.1°58.3°
C11N12C13H131156.3°178.3°
N12C11H111H112117.6°120.0°
N12C14C22N15176.7°180.0°
N12C14C22C213.9°0.1°
N12C14C22C18177.9°180.0°
N12C14N15C16177.4°180.0°
C14N12C13H13294.4°65.9°
C14N12C13H13125.1°54.1°
C14N12C11H1117.8°65.9°
C14N12C11H112110.6°54.1°
C14C22C21C18178.3°179.9°
C14C22C21C20177.4°180.0°
C22C14N15C160.8°0.0°
C14C22C18N19178.8°180.0°
C14C22C18N170.6°0.1°
C14C22C21H2112.6°0.1°
N15C14C22C21179.5°180.0°
N15C14C22C181.3°0.0°
C14N15C16N170.4°0.0°
C14N15C16H161179.6°180.0°
C22C21C20H211180.0°180.0°
C22C21C20N191.6°0.0°
C21C22C18N190.1°0.1°
C21C22C18N17179.3°180.0°
C22C21C20H201178.4°179.7°
C20C21C22C180.9°0.1°
C21C20N19H201180.0°179.7°
C21C20N19C181.8°0.0°
C21C20N19H191178.2°179.8°
C22C18N19C201.2°0.1°
C22C18N19N17179.3°179.8°
C22C18N17C160.5°0.1°
C18C22C21H211179.1°180.0°
C22C18N19H191178.8°179.7°
N15C16N17C181.0°0.1°
N15C16N17H161180.0°180.0°
C20N19C18H191180.0°179.8°
C20N19C18N17178.1°179.9°
N19C20C21H211178.4°180.0°
N19C18N17C16179.7°180.0°
C18N19C20H201178.2°179.8°
C18N17C16H161179.0°179.9°
N17C18N19H1911.9°0.1°
H101C10C09H09146.6°62.5°
H101C10C09H09272.6°57.7°
H101C10C11H11110.7°59.1°
H101C10C11H112129.1°60.8°
H102C10C09H091166.4°57.6°
H102C10C09H09247.2°177.9°
H102C10C11H111109.1°179.2°
H102C10C11H1129.3°59.2°
H132C13C08H08121.2°179.3°
H131C13C08H081140.8°59.3°
H201C20C21H2111.6°0.3°
H201C20N19H1911.8°0.0°
H021C02O01H01159.5°59.9°
H022C02O01H01159.4°60.0°
H081C08C09H091172.7°57.7°
H081C08C09H09268.1°177.9°

222415

PDB entries from 2024-07-10

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