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J97

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C28C29doub1.38Å1.39ÅAromatic
C28C27sing1.38Å1.39ÅAromatic
C29C30sing1.38Å1.40ÅAromatic
C27C26doub1.38Å1.39ÅAromatic
C30CL1sing1.74Å1.72Å
C30C14doub1.39Å1.39ÅAromatic
F12C09sing1.40Å1.34Å
C26C14sing1.39Å1.39ÅAromatic
C26CL2sing1.74Å1.72Å
C14S13sing1.76Å1.79Å
F10C09sing1.40Å1.34Å
C09F11sing1.40Å1.33Å
C09C07sing1.51Å1.57Å
C08C07doub1.35Å1.39Å
C08C01sing1.41Å1.41Å
C07N06sing1.36Å1.31Å
S13C01sing1.76Å1.81Å
C01C02doub1.41Å1.41Å
N06C04sing1.35Å1.41Å
C02C04sing1.41Å1.45Å
C02C03sing1.47Å1.50Å
C04O05doub1.22Å1.24Å
O16C03doub1.22Å1.24Å
C03N15sing1.35Å1.42Å
N15C17sing1.40Å1.47Å
C17C22doub1.39Å1.41ÅAromatic
C17C18sing1.39Å1.41ÅAromatic
C22C21sing1.38Å1.40ÅAromatic
C18C19doub1.39Å1.39ÅAromatic
C21C20doub1.38Å1.40ÅAromatic
C19C20sing1.40Å1.39ÅAromatic
C19C23sing1.48Å1.55Å
C23O25doub1.21Å1.25Å
C23O24sing1.35Å1.25Å
C08H2sing1.08Å1.08Å
C18H3sing1.08Å1.08Å
C20H4sing1.08Å1.08Å
C21H5sing1.08Å1.08Å
C22H6sing1.08Å1.08Å
C27H7sing1.08Å1.08Å
C28H8sing1.08Å1.08Å
C29H9sing1.08Å1.08Å
N15H10sing0.97Å1.00Å
O24H11sing0.97Å0.95Å
N06H1sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C29C28C27119.2°120.2°
C28C29C30118.9°120.0°
C29C28H8120.4°119.9°
C28C29H9120.6°120.0°
C28C27C26119.2°120.1°
C28C27H7120.4°120.0°
C27C28H8120.4°119.9°
C29C30CL1115.5°120.0°
C29C30C14124.2°120.0°
C30C29H9120.6°120.0°
C27C26C14124.1°119.9°
C27C26CL2116.2°120.0°
C26C27H7120.4°120.0°
CL1C30C14120.3°120.0°
C30C14C26114.3°119.8°
C30C14S13122.6°120.1°
F12C09F10104.3°109.4°
F12C09F11105.1°109.5°
F12C09C07113.4°109.5°
C14C26CL2119.6°120.0°
C26C14S13123.1°120.1°
C14S13C01111.5°100.0°
F10C09F11104.4°109.5°
F10C09C07111.9°109.4°
F11C09C07116.6°109.5°
C09C07C08120.0°119.3°
C09C07N06113.6°119.3°
C07C08C01117.1°120.0°
C08C07N06126.4°121.4°
C07C08H2121.4°120.0°
C08C01S13111.9°120.7°
C08C01C02122.3°118.7°
C01C08H2121.5°120.0°
C07N06C04116.4°121.4°
C07N06H1121.8°119.3°
S13C01C02125.8°120.7°
C01C02C04114.6°118.7°
C01C02C03128.6°120.7°
N06C04C02123.3°119.9°
N06C04O05113.4°120.0°
C04N06H1121.8°119.3°
C04C02C03116.8°120.7°
C02C04O05123.3°120.0°
C02C03O16118.5°120.0°
C02C03N15123.9°120.0°
O16C03N15117.6°120.0°
C03N15C17129.1°120.0°
C03N15H10115.5°120.0°
N15C17C22123.6°120.0°
N15C17C18119.9°120.0°
C17N15H10115.5°120.0°
C22C17C18116.5°120.0°
C17C22C21120.3°120.3°
C17C22H6119.9°119.9°
C17C18C19123.5°119.8°
C17C18H3118.3°120.1°
C22C21C20121.6°120.2°
C22C21H5119.2°119.9°
C21C22H6119.9°119.8°
C18C19C20119.1°119.8°
C18C19C23122.0°120.1°
C19C18H3118.2°120.1°
C21C20C19119.0°120.0°
C21C20H4120.5°120.0°
C20C21H5119.2°119.9°
C20C19C23119.0°120.1°
C19C20H4120.5°120.0°
C19C23O25118.0°120.0°
C19C23O24117.6°120.0°
O25C23O24124.4°120.0°
C23O24H11109.5°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C29C28C27H8180.0°179.8°
C28C29C30H9180.0°179.7°
C29C28C27C260.0°0.1°
C28C29C30CL1179.9°180.0°
C28C29C30C140.6°0.5°
C29C28C27H7180.0°180.0°
C27C28C29C300.1°0.2°
C28C27C26H7180.0°179.9°
C28C27C26C140.5°0.1°
C28C27C26CL2179.7°180.0°
C27C28C29H9180.0°179.9°
C29C30CL1C14179.5°179.5°
C29C30C14C261.0°0.5°
C29C30C14S13179.4°179.7°
C30C29C28H8180.0°179.9°
C27C26C14C301.0°0.2°
C27C26C14CL2179.7°179.9°
C27C26C14S13179.4°180.0°
C26C27C28H8180.0°179.7°
CL1C30C14C26179.5°180.0°
CL1C30C14S131.1°0.2°
CL1C30C29H90.1°0.3°
C30C14C26S13178.4°179.8°
C30C14C26CL2179.3°179.7°
C30C14S13C0187.8°84.1°
C14C30C29H9179.4°179.8°
F12C09F10F11110.0°120.0°
F12C09F10C07123.0°119.9°
F12C09F11C07126.6°120.0°
F12C09C07C0814.3°120.1°
F12C09C07N06165.5°60.0°
C26C14S13C0190.4°96.1°
C14C26C27H7179.5°180.0°
CL2C26C14S130.9°0.1°
CL2C26C27H70.3°0.1°
C14S13C01C081.9°32.5°
C14S13C01C02178.2°147.2°
F10C09F11C07124.0°120.0°
F10C09C07C08103.3°120.0°
F10C09C07N0676.8°60.0°
F11C09C07C08136.6°0.0°
F11C09C07N0643.2°180.0°
C09C07C08N06179.9°180.0°
C09C07C08C01180.0°180.0°
C09C07N06C04179.9°180.0°
C09C07C08H20.1°0.0°
C09C07N06H10.1°0.0°
C07C08C01H2180.0°180.0°
C07C08C01S13179.9°179.7°
C07C08C01C020.1°0.1°
C08C07N06C040.2°0.0°
C08C07N06H1179.8°180.0°
C01C08C07N060.2°0.0°
C08C01S13C02179.9°179.7°
C08C01C02C040.2°0.1°
C08C01C02C03179.9°180.0°
C07N06C04H1180.0°180.0°
C07N06C04C020.1°0.0°
C07N06C04O05179.9°180.0°
N06C07C08H2179.8°180.0°
S13C01C02C04179.9°179.8°
S13C01C02C030.0°0.3°
S13C01C08H20.1°0.3°
C01C02C04N060.1°0.1°
C01C02C04C03179.9°179.9°
C01C02C04O05179.9°179.9°
C01C02C03O163.1°6.2°
C01C02C03N15176.5°173.7°
C02C01C08H2180.0°180.0°
N06C04C02O05180.0°180.0°
N06C04C02C03179.9°180.0°
C04C02C03O16176.9°173.7°
C04C02C03N153.6°6.3°
C02C04N06H1180.0°180.0°
C03C02C04O050.0°0.0°
C02C03O16N15179.6°179.9°
C02C03N15C17179.7°176.1°
C02C03N15H100.2°3.9°
O05C04N06H10.0°0.0°
O16C03N15C170.7°3.9°
O16C03N15H10179.3°176.1°
C03N15C17H10180.0°180.0°
C03N15C17C2236.5°32.9°
C03N15C17C18144.7°146.8°
N15C17C22C18178.9°179.7°
N15C17C22C21179.6°179.7°
N15C17C18C19179.6°179.7°
N15C17C18H30.4°0.3°
N15C17C22H60.4°0.3°
C17C22C21H6180.0°180.0°
C22C17C18C190.7°0.0°
C17C22C21C200.4°0.0°
C22C17C18H3179.3°180.0°
C17C22C21H5179.6°180.0°
C22C17N15H10143.5°147.0°
C18C17C22C210.7°0.0°
C17C18C19H3180.0°180.0°
C17C18C19C200.4°0.0°
C17C18C19C23179.8°180.0°
C18C17C22H6179.3°180.0°
C18C17N15H1035.3°33.2°
C22C21C20H5180.0°180.0°
C22C21C20C190.1°0.0°
C22C21C20H4179.9°180.0°
C18C19C20C210.1°0.0°
C18C19C20C23179.8°180.0°
C18C19C23O2573.5°0.0°
C18C19C23O24106.0°180.0°
C18C19C20H4179.9°180.0°
C21C20C19H4180.0°180.0°
C21C20C19C23179.9°180.0°
C20C21C22H6179.6°180.0°
C20C19C23O25106.7°180.0°
C20C19C23O2473.8°0.0°
C20C19C18H3179.6°180.0°
C19C20C21H5179.9°180.0°
C19C23O25O24179.4°179.9°
C23C19C18H30.2°0.0°
C23C19C20H40.1°0.0°
C19C23O24H11179.4°180.0°
O25C23O24H110.0°0.0°
H4C20C21H50.1°0.0°
H5C21C22H60.4°0.0°
H7C27C28H80.0°0.1°
H8C28C29H90.0°0.2°

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PDB entries from 2024-07-17

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