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SummaryGeometryRelated PDB entries

XSE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C21C06sing1.54Å1.57Å
C21N05sing1.47Å1.43Å
C06N04sing1.47Å1.47Å
O01C17doub1.22Å1.17Å
N05C20sing1.47Å1.42Å
S01C05sing1.71Å1.95ÅAromatic
S01C07sing1.76Å1.75ÅAromatic
C17N04sing1.35Å1.50Å
C17C15sing1.48Å1.56Å
N04C19sing1.47Å1.45Å
C05N03doub1.28Å1.42ÅAromatic
C20C19sing1.53Å1.53Å
C14C15doub1.40Å1.37ÅAromatic
C14C18sing1.37Å1.37ÅAromatic
C07C09doub1.39Å1.29ÅAromatic
C07C08sing1.40Å1.38ÅAromatic
C15C16sing1.40Å1.39ÅAromatic
N03C08sing1.35Å1.24ÅAromatic
C09C10sing1.36Å1.11ÅAromatic
C08C12doub1.41Å1.66ÅAromatic
C18C13doub1.39Å1.40ÅAromatic
C10C11doub1.40Å1.14ÅAromatic
C16N07doub1.32Å1.36ÅAromatic
C12C11sing1.39Å1.41ÅAromatic
C11C01sing1.48Å1.53Å
C13N07sing1.33Å1.41ÅAromatic
C13N01sing1.39Å1.48Å
N02C01doub1.33Å1.33ÅAromatic
N02C04sing1.32Å1.35ÅAromatic
C01C02sing1.40Å1.38ÅAromatic
N01C04sing1.39Å1.49Å
C04N06doub1.32Å1.32ÅAromatic
C02F01sing1.35Å1.38Å
C02C03doub1.38Å1.37ÅAromatic
N06C03sing1.32Å1.33ÅAromatic
C10H1sing1.08Å1.08Å
C12H2sing1.08Å1.08Å
C14H3sing1.08Å1.08Å
C16H4sing1.08Å1.08Å
C18H5sing1.08Å1.08Å
C19H6sing1.09Å1.10Å
C19H7sing1.09Å1.10Å
C20H8sing1.09Å1.10Å
C20H9sing1.09Å1.10Å
C21H10sing1.09Å1.10Å
C21H11sing1.09Å1.10Å
C03H12sing1.08Å1.08Å
C05H13sing1.08Å1.08Å
C06H14sing1.09Å1.10Å
C06H15sing1.09Å1.10Å
C09H16sing1.08Å1.08Å
N01H17sing0.97Å1.00Å
N05H18sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C06C21N05111.6°109.4°
C21C06N04111.0°108.4°
C06C21H10108.9°109.5°
C06C21H11108.9°109.5°
C21C06H14109.1°109.6°
C21C06H15109.1°109.6°
C21N05C20110.2°111.3°
N05C21H10108.9°109.6°
N05C21H11108.9°109.3°
C21N05H18109.3°110.9°
C06N04C17119.8°120.9°
C06N04C19117.3°118.2°
N04C06H14109.1°109.8°
N04C06H15109.1°109.5°
O01C17N04118.0°120.0°
O01C17C15119.1°120.0°
N05C20C19113.5°109.3°
N05C20H8108.5°109.5°
N05C20H9108.4°109.5°
C20N05H18109.3°111.0°
C05S01C0785.4°90.9°
S01C05N03112.1°111.6°
S01C05H13124.0°124.2°
S01C07C09125.3°131.5°
S01C07C08107.2°107.9°
N04C17C15122.9°120.0°
C17N04C19122.9°120.9°
C17C15C14120.4°120.4°
C17C15C16119.8°120.5°
N04C19C20110.9°108.7°
N04C19H6109.1°109.6°
N04C19H7109.1°109.6°
C05N03C08104.4°117.8°
N03C05H13123.9°124.2°
C20C19H6109.1°109.6°
C20C19H7109.1°109.6°
C19C20H8108.5°109.5°
C19C20H9108.5°109.5°
C15C14C18121.0°118.5°
C14C15C16119.8°119.0°
C15C14H3119.5°120.7°
C14C18C13119.3°119.4°
C18C14H3119.5°120.8°
C14C18H5120.3°120.3°
C09C07C08127.4°120.6°
C07C09C10125.0°120.4°
C07C09H16117.5°119.8°
C07C08N03130.9°111.8°
C07C08C12104.4°118.6°
C15C16N07121.1°120.5°
C15C16H4119.4°119.7°
N03C08C12124.8°129.6°
C09C10C11125.0°120.1°
C09C10H1117.5°119.9°
C10C09H16117.5°119.8°
C08C12C11110.9°120.1°
C08C12H2124.6°120.0°
C18C13N07119.9°120.9°
C18C13N01123.5°119.5°
C13C18H5120.4°120.3°
C10C11C12127.3°120.3°
C10C11C01114.1°119.9°
C11C10H1117.5°120.0°
C16N07C13118.8°121.7°
N07C16H4119.4°119.7°
C12C11C01118.5°119.8°
C11C12H2124.6°119.9°
C11C01N02114.8°120.5°
C11C01C02122.6°120.5°
N07C13N01116.5°119.6°
C13N01C04127.0°120.0°
C13N01H17116.5°120.0°
C01N02C04117.0°120.6°
N02C01C02122.6°119.0°
N02C04N01119.8°119.1°
N02C04N06125.1°121.8°
C01C02F01125.4°120.8°
C01C02C03114.9°118.4°
N01C04N06115.1°119.1°
C04N01H17116.5°120.0°
C04N06C03115.7°121.0°
F01C02C03119.7°120.8°
C02C03N06124.6°119.2°
C02C03H12117.6°120.4°
N06C03H12117.7°120.4°
H6C19H7109.5°109.7°
H8C20H9109.5°109.5°
H10C21H11109.5°109.5°
H14C06H15109.5°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C06C21N05H10120.3°120.1°
C06C21N05H11120.3°119.9°
C21C06N04H14120.3°119.7°
C21C06N04H15120.2°119.6°
C06C21N05C2059.3°63.0°
C21C06N04C17136.0°129.0°
C21C06N04C1942.6°51.0°
C06C21H10H11119.0°120.1°
C21C06H14H15119.3°120.5°
C06C21N05H1860.8°61.1°
N05C21C06N0449.6°53.7°
C21N05C20H18120.1°124.1°
C21N05C20C1960.9°63.1°
C21N05C20H8178.5°56.8°
C21N05C20H959.7°177.0°
N05C21H10H11119.0°119.9°
N05C21C06H14169.9°173.5°
N05C21C06H1570.6°65.9°
C06N04C17O010.8°174.1°
C06N04C17C19178.6°180.0°
C06N04C17C15179.7°5.9°
C06N04C19C2043.0°51.3°
C06N04C19H6163.2°68.5°
C06N04C19H777.2°171.1°
N04C06C21H10169.9°173.8°
N04C06C21H1170.7°66.1°
N04C06H14H15119.3°120.5°
O01C17N04C15179.5°180.0°
O01C17N04C19179.4°5.9°
O01C17C15C1460.2°37.7°
O01C17C15C16118.9°142.1°
N05C20C19N0451.4°54.0°
N05C20C19H8120.6°120.0°
N05C20C19H9120.6°120.0°
N05C20C19H6171.6°65.8°
N05C20C19H768.8°173.7°
N05C20H8H9118.1°120.1°
C20N05C21H10179.6°176.9°
C20N05C21H1161.0°56.9°
S01C05N03H13180.0°179.6°
C05S01C07C09180.0°179.9°
C05S01C07C080.1°0.5°
S01C05N03C080.2°0.5°
C07S01C05N030.1°0.6°
S01C07C09C08179.9°179.5°
S01C07C08N030.3°0.4°
S01C07C09C10179.9°180.0°
S01C07C08C12179.9°179.7°
C07S01C05H13179.9°179.8°
S01C07C09H160.1°0.0°
C17N04C19C20135.6°128.7°
N04C17C15C14120.3°142.3°
N04C17C15C1660.6°37.9°
C17N04C19H615.4°111.5°
C17N04C19H7104.2°9.0°
C17N04C06H1415.7°9.3°
C17N04C06H15103.8°111.4°
C15C17N04C191.1°174.1°
C17C15C14C16179.1°179.8°
C17C15C14C18179.7°180.0°
C17C15C16N07179.9°179.8°
C17C15C14H30.3°0.3°
C17C15C16H40.1°0.2°
N04C19C20H6120.2°119.8°
N04C19C20H7120.2°119.8°
N04C19H6H7119.4°120.4°
N04C19C20H8172.0°66.0°
N04C19C20H969.2°173.9°
C19N04C06H14162.9°170.8°
C19N04C06H1577.6°68.6°
C05N03C08C070.3°0.1°
C05N03C08C12179.9°179.2°
C20C19H6H7119.4°120.4°
C19C20H8H9118.2°120.0°
C19C20N05H1859.2°60.9°
C15C14C18H3180.0°179.7°
C15C14C18C130.1°0.0°
C14C15C16N070.8°0.5°
C14C15C16H4179.2°180.0°
C15C14C18H5179.9°180.0°
C18C14C15C160.6°0.2°
C14C18C13H5180.0°180.0°
C14C18C13N070.6°0.0°
C14C18C13N01179.7°179.7°
C09C07C08N03179.9°180.0°
C07C09C10H16180.0°180.0°
C09C07C08C120.2°0.7°
C07C09C10C110.9°0.0°
C07C09C10H1179.1°179.8°
C07C08N03C12179.6°179.2°
C08C07C09C100.2°0.5°
C07C08C12C110.8°0.5°
C07C08C12H2179.3°179.5°
C08C07C09H16179.8°179.5°
C15C16N07H4180.0°179.5°
C15C16N07C130.3°0.5°
C16C15C14H3179.3°180.0°
N03C08C12C11179.6°179.7°
N03C08C12H20.4°0.3°
C08N03C05H13179.8°179.9°
C09C10C11H1180.0°179.8°
C09C10C11C121.8°0.2°
C09C10C11C01179.1°179.7°
C08C12C11C101.6°0.0°
C08C12C11H2180.0°180.0°
C08C12C11C01178.9°180.0°
C18C13N07C160.4°0.2°
C18C13N07N01179.2°179.8°
C18C13N01C0414.1°174.4°
C13C18C14H3180.0°179.7°
C18C13N01H17165.9°5.6°
C10C11C12C01177.2°179.9°
C10C11C01N0211.7°145.3°
C10C11C01C02169.9°34.9°
C10C11C12H2178.4°179.9°
C11C10C09H16179.1°179.9°
C16N07C13N01179.6°180.0°
C12C11C01N02165.8°34.8°
C12C11C01C0212.5°145.0°
C12C11C10H1178.2°180.0°
C11C01N02C02178.4°179.8°
C11C01N02C04178.9°179.8°
C11C01C02F011.4°0.0°
C11C01C02C03178.9°180.0°
C01C11C10H10.9°0.1°
C01C11C12H21.2°0.0°
N07C13N01C04166.8°5.4°
C13N07C16H4179.7°180.0°
N07C13C18H5179.4°180.0°
N07C13N01H1713.2°174.6°
C13N01C04N0213.6°175.2°
C13N01C04H17180.0°180.0°
C13N01C04N06166.9°5.7°
N01C13C18H50.3°0.2°
C01N02C04N01179.5°179.7°
C01N02C04N060.1°0.6°
N02C01C02F01179.6°179.7°
N02C01C02C030.7°0.3°
C04N02C01C020.5°0.0°
N02C04N01N06179.5°179.1°
N02C04N06C030.5°0.9°
N02C04N01H17166.4°4.8°
C01C02F01C03179.6°180.0°
C01C02C03N060.3°0.0°
C01C02C03H12179.7°180.0°
N01C04N06C03179.9°180.0°
C04N06C03C020.3°0.6°
C04N06C03H12179.7°179.4°
N06C04N01H1713.1°174.4°
F01C02C03N06180.0°180.0°
F01C02C03H120.0°0.0°
C02C03N06H12180.0°180.0°
H1C10C09H160.9°0.3°
H3C14C18H50.0°0.2°
H6C19C20H867.8°174.2°
H6C19C20H951.0°54.1°
H7C19C20H851.8°53.8°
H7C19C20H9170.6°66.3°
H8C20N05H1861.4°179.1°
H9C20N05H18179.8°59.0°
H10C21C06H1469.8°66.3°
H10C21C06H1549.7°54.2°
H10C21N05H1859.4°59.0°
H11C21C06H1449.6°53.8°
H11C21C06H15169.1°174.3°
H11C21N05H18178.8°179.0°

222415

PDB entries from 2024-07-10

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