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A1JKU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O21S19doub1.42Å1.44Å
O20S19doub1.42Å1.44Å
S19C18sing1.83Å1.79Å
S19C22sing1.83Å1.79Å
C18C17sing1.55Å1.53Å
C22C23sing1.54Å1.53Å
C23C17sing1.54Å1.54Å
C17N16sing1.47Å1.46Å
N16C14sing1.35Å1.35Å
O15C14doub1.22Å1.23Å
C14C10sing1.47Å1.48Å
C10C9doub1.40Å1.37Å
C10C11sing1.42Å1.45Å
C9C8sing1.39Å1.42Å
O24C8sing1.36Å1.33Å
C8C7doub1.39Å1.37Å
C11O12doub1.22Å1.23Å
N13C11sing1.35Å1.39Å
C7N13sing1.37Å1.37Å
C4C7sing1.48Å1.47Å
C4C3doub1.40Å1.39ÅAromatic
C5C4sing1.40Å1.39ÅAromatic
C3C2sing1.38Å1.39ÅAromatic
C2C1doub1.38Å1.38ÅAromatic
C6C5doub1.38Å1.39ÅAromatic
C1C6sing1.38Å1.38ÅAromatic
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C17H17sing1.09Å1.10Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
N16HN16sing0.97Å1.00Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H4sing1.09Å1.10Å
N13HN13sing0.97Å1.00Å
O24HO24sing0.97Å0.95Å
C9H9sing1.08Å1.08Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O21S19O20117.6°119.9°
O21S19C18109.5°109.4°
O21S19C22110.1°109.4°
O20S19C18110.6°109.3°
O20S19C22110.6°109.4°
C18S19C2296.5°97.0°
S19C18C17104.0°102.6°
S19C18H181110.8°110.8°
S19C18H182110.8°111.0°
S19C22C23105.1°105.1°
S19C22H221110.6°110.4°
S19C22H222110.6°110.4°
C18C17C23104.2°106.6°
C18C17N16113.5°110.0°
C18C17H17108.0°110.1°
C17C18H181110.8°110.8°
C17C18H182110.8°110.8°
C22C23C17106.4°108.7°
C23C22H221110.6°110.3°
C23C22H222110.6°110.3°
C22C23H23110.2°109.7°
C22C23H4110.2°109.6°
C23C17N16114.0°110.0°
C23C17H17107.9°110.1°
C17C23H23110.2°109.7°
C17C23H4110.3°109.6°
C17N16C14121.0°120.0°
N16C17H17108.9°110.0°
C17N16HN16119.5°120.0°
N16C14O15123.0°120.0°
N16C14C10116.5°120.0°
C14N16HN16119.5°120.0°
O15C14C10120.4°120.0°
C14C10C9115.9°120.3°
C14C10C11123.2°120.3°
C9C10C11120.9°119.3°
C10C9C8120.1°119.1°
C10C9H9119.9°120.5°
C10C11O12124.9°120.0°
C10C11N13114.9°120.1°
C9C8O24116.8°120.1°
C9C8C7120.4°119.8°
C8C9H9119.9°120.4°
O24C8C7122.8°120.1°
C8O24HO24109.5°114.0°
C8C7N13118.5°120.8°
C8C7C4125.1°119.6°
O12C11N13120.2°119.9°
C11N13C7125.2°120.9°
C11N13HN13117.4°119.5°
N13C7C4116.3°119.6°
C7N13HN13117.4°119.6°
C7C4C3120.6°120.2°
C7C4C5120.6°120.1°
C3C4C5118.8°119.7°
C4C3C2120.3°119.8°
C4C3H3119.8°120.1°
C4C5C6120.4°119.8°
C4C5H5119.8°120.1°
C3C2C1120.3°120.2°
C3C2H2119.8°119.9°
C2C3H3119.9°120.0°
C2C1C6119.7°120.3°
C2C1H1120.1°119.9°
C1C2H2119.8°119.9°
C5C6C1120.3°120.2°
C6C5H5119.8°120.1°
C5C6H6119.8°119.9°
C1C6H6119.8°119.9°
C6C1H1120.1°119.8°
H221C22H222109.5°110.3°
H181C18H182109.5°110.7°
H23C23H4109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O21S19O20C18126.8°127.4°
O21S19O20C22127.5°127.5°
O21S19C18C22114.0°113.4°
O21S19C18C1793.0°90.2°
O21S19C22C23121.4°115.6°
O21S19C22H2212.1°125.6°
O21S19C22H222119.3°3.4°
O21S19C18H181147.9°28.0°
O21S19C18H18226.2°151.4°
O20S19C18C22114.9°113.4°
O20S19C18C17135.9°136.7°
O20S19C22C23107.1°111.3°
O20S19C22H221133.6°7.6°
O20S19C22H22212.2°129.8°
O20S19C18H18116.8°105.1°
O20S19C18H182105.0°18.3°
S19C18C17H181119.1°118.2°
S19C18C17H182119.1°118.5°
C18S19C22C237.8°2.1°
S19C18C17C2343.6°42.5°
S19C18C17N16168.2°161.7°
S19C18C17H1771.0°76.9°
C18S19C22H221111.5°121.0°
C18S19C22H222127.1°116.8°
S19C18H181H182122.5°123.6°
C22S19C18C1721.1°23.2°
S19C22C23H221119.3°118.9°
S19C22C23H222119.3°119.0°
S19C22C23C1734.8°27.9°
S19C22H221H222122.0°122.3°
C22S19C18H18198.1°141.5°
C22S19C18H182140.2°95.1°
S19C22C23H23154.3°92.0°
S19C22C23H484.8°147.7°
C18C17C23C2251.5°47.2°
C18C17C23N16124.3°119.3°
C18C17C23H17114.7°119.4°
C18C17N16H17120.3°121.4°
C18C17N16C14134.7°155.7°
C18C17N16HN1645.2°24.4°
C17C18H181H182122.6°123.3°
C18C17C23H23171.0°72.6°
C18C17C23H468.0°167.0°
C22C23C17H23119.5°119.9°
C22C23C17H4119.5°119.8°
C22C23C17N16175.8°166.5°
C22C23C17H1763.1°72.2°
C23C22H221H222122.0°122.1°
C22C23H23H4121.4°120.4°
C23C17N16H17120.5°121.4°
C23C17N16C14106.1°87.1°
C17C23C22H22184.5°146.8°
C17C23C22H222154.1°91.0°
C23C17N16HN1673.9°92.8°
C23C17C18H18175.5°160.7°
C23C17C18H182162.7°76.0°
C17C23H23H4121.4°120.4°
C17N16C14HN16180.0°179.9°
C17N16C14O151.6°5.4°
C17N16C14C10178.0°174.6°
N16C17C18H18149.1°80.0°
N16C17C18H18272.7°43.3°
N16C17C23H2364.7°46.6°
N16C17C23H456.3°73.7°
N16C14O15C10179.5°180.0°
N16C14C10C9156.6°173.5°
N16C14C10C1122.7°6.8°
C14N16C17H1714.4°34.3°
O15C14C10C923.9°6.5°
O15C14C10C11156.8°173.2°
O15C14N16HN16178.4°174.6°
C14C10C9C11179.3°179.7°
C14C10C9C8177.5°180.0°
C14C10C11O125.7°0.2°
C14C10C11N13177.0°180.0°
C10C14N16HN162.0°5.5°
C14C10C9H92.5°0.3°
C10C9C8H9180.0°179.7°
C10C9C8O24178.8°179.9°
C10C9C8C70.8°0.0°
C9C10C11O12175.1°180.0°
C9C10C11N132.2°0.3°
C11C10C9C81.8°0.3°
C10C11O12N13177.1°179.7°
C10C11N13C71.8°0.0°
C10C11N13HN13178.2°180.0°
C11C10C9H9178.2°180.0°
C9C8O24C7178.0°179.9°
C9C8C7N130.3°0.3°
C9C8C7C4177.3°180.0°
C9C8O24HO24180.0°0.1°
O24C8C7N13178.2°179.7°
O24C8C7C40.6°0.1°
O24C8C9H91.2°0.3°
C8C7N13C110.9°0.3°
C8C7N13C4177.8°179.7°
C8C7C4C3115.9°45.8°
C8C7C4C564.0°133.9°
C8C7N13HN13179.1°179.7°
C7C8O24HO242.1°180.0°
C7C8C9H9179.2°179.7°
O12C11N13C7175.6°179.7°
O12C11N13HN134.4°0.2°
C11N13C7HN13180.0°180.0°
C11N13C7C4176.9°180.0°
N13C7C4C361.8°133.9°
N13C7C4C5118.3°46.4°
C7C4C3C5179.9°179.7°
C7C4C3C2180.0°179.7°
C7C4C5C6179.9°180.0°
C7C4C5H50.1°0.0°
C4C7N13HN133.1°0.0°
C7C4C3H30.1°0.0°
C4C3C2H3180.0°179.7°
C4C3C2C10.1°0.5°
C3C4C5C60.0°0.3°
C3C4C5H5180.0°179.7°
C4C3C2H2179.9°179.8°
C5C4C3C20.1°0.5°
C4C5C6H5180.0°180.0°
C4C5C6C10.0°0.0°
C4C5C6H6180.0°180.0°
C5C4C3H3180.0°179.7°
C3C2C1H2180.0°179.7°
C3C2C1C60.1°0.3°
C3C2C1H1179.9°179.7°
C2C1C6C50.0°0.0°
C2C1C6H1180.0°180.0°
C2C1C6H6180.0°180.0°
C1C2C3H3179.9°179.7°
C5C6C1H6180.0°180.0°
C5C6C1H1180.0°180.0°
C1C6C5H5180.0°180.0°
C6C1C2H2179.9°179.9°
H5C5C6H60.0°0.1°
H6C6C1H10.1°0.0°
H17C17N16HN16165.6°145.8°
H17C17C18H181169.9°41.4°
H17C17C18H18248.1°164.6°
H17C17C23H2356.4°168.0°
H17C17C23H4177.3°47.6°
H221C22C23H2335.0°27.0°
H221C22C23H4155.9°93.4°
H222C22C23H2386.4°149.1°
H222C22C23H434.5°28.7°
H1C1C2H20.1°0.1°
H2C2C3H30.1°0.1°

254917

PDB entries from 2026-06-10

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