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SummaryGeometryRelated PDB entries

TNI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CL01C02sing1.74Å1.76Å
C03C02doub1.38Å1.38ÅAromatic
C03C04sing1.38Å1.37ÅAromatic
C02C18sing1.38Å1.44ÅAromatic
C04C05doub1.38Å1.36ÅAromatic
C18C17doub1.38Å1.34ÅAromatic
C18BR19sing1.89Å2.00Å
C05C17sing1.38Å1.36ÅAromatic
C05C06sing1.51Å1.48Å
C06O07sing1.43Å1.38Å
O07C08sing1.36Å1.36Å
C08C09doub1.39Å1.37ÅAromatic
C08C14sing1.40Å1.37ÅAromatic
C09C10sing1.38Å1.35ÅAromatic
C15C14sing1.47Å1.50Å
C15O16doub1.21Å1.14Å
C14N13doub1.33Å1.29ÅAromatic
C10BR11sing1.89Å1.88Å
C10C12doub1.39Å1.36ÅAromatic
N13C12sing1.31Å1.31ÅAromatic
C15H1sing1.08Å1.08Å
C17H2sing1.08Å1.08Å
C03H3sing1.08Å1.08Å
C04H4sing1.08Å1.08Å
C06H5sing1.09Å1.10Å
C06H6sing1.09Å1.10Å
C09H7sing1.08Å1.08Å
C12H8sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
CL01C02C03106.3°120.0°
CL01C02C18132.4°120.0°
C02C03C04122.8°120.0°
C03C02C18121.3°120.0°
C02C03H3118.6°120.0°
C03C04C05114.7°120.0°
C04C03H3118.6°120.0°
C03C04H4122.6°120.0°
C02C18C17112.7°120.0°
C02C18BR19142.6°120.0°
C04C05C17123.1°120.0°
C04C05C06123.6°120.0°
C05C04H4122.6°120.0°
C17C18BR19104.7°120.0°
C18C17C05125.4°120.0°
C18C17H2117.3°120.0°
C17C05C06113.3°120.0°
C05C17H2117.3°120.0°
C05C06O0798.8°109.5°
C05C06H5112.1°109.5°
C05C06H6112.1°109.4°
C06O07C08122.4°117.0°
O07C06H5112.1°109.5°
O07C06H6112.0°109.4°
O07C08C09121.5°120.6°
O07C08C14118.2°120.5°
C09C08C14120.4°118.9°
C08C09C10116.6°118.5°
C08C09H7121.7°120.7°
C08C14C15121.0°119.8°
C08C14N13120.2°120.4°
C09C10BR11112.5°120.3°
C09C10C12121.6°119.5°
C10C09H7121.7°120.8°
C14C15O16117.1°120.0°
C15C14N13118.8°119.8°
C14C15H1121.5°120.0°
O16C15H1121.4°120.0°
C14N13C12121.6°121.7°
BR11C10C12125.9°120.2°
C10C12N13119.6°121.1°
C10C12H8120.2°119.5°
N13C12H8120.2°119.4°
H5C06H6109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
CL01C02C03C18178.7°179.9°
CL01C02C03C04179.6°179.8°
CL01C02C18C17178.8°180.0°
CL01C02C18BR192.0°0.0°
CL01C02C03H30.4°0.1°
C02C03C04H3180.0°179.7°
C02C03C04C050.5°0.3°
C03C02C18C170.5°0.0°
C03C02C18BR19179.7°180.0°
C02C03C04H4179.5°179.9°
C04C03C02C180.9°0.3°
C03C04C05H4180.0°179.8°
C03C04C05C170.3°0.0°
C03C04C05C06179.9°180.0°
C02C18C17BR19179.5°180.0°
C02C18C17C050.3°0.3°
C02C18C17H2179.7°180.0°
C18C02C03H3179.1°180.0°
C04C05C17C180.8°0.3°
C04C05C17C06179.7°180.0°
C04C05C06O07110.6°90.0°
C04C05C17H2179.2°180.0°
C05C04C03H3179.6°180.0°
C04C05C06H57.7°150.0°
C04C05C06H6131.2°30.0°
C18C17C05H2180.0°179.7°
C18C17C05C06179.5°179.7°
BR19C18C17C05179.2°179.7°
BR19C18C17H20.8°0.0°
C17C05C06O0769.7°90.0°
C17C05C04H4179.7°179.8°
C17C05C06H5172.1°30.1°
C17C05C06H648.5°150.0°
C05C06O07H5118.3°120.1°
C05C06O07H6118.3°120.0°
C05C06O07C08160.1°180.0°
C06C05C17H20.5°0.0°
C06C05C04H40.0°0.2°
C05C06H5H6125.0°120.0°
C06O07C08C098.5°0.0°
C06O07C08C14171.6°180.0°
O07C06H5H6124.9°120.0°
O07C08C09C14179.9°180.0°
O07C08C09C10179.7°180.0°
O07C08C14C151.2°0.0°
O07C08C14N13180.0°179.7°
C08O07C06H541.9°59.9°
C08O07C06H681.6°60.0°
O07C08C09H70.3°0.1°
C08C09C10H7180.0°179.9°
C09C08C14C15178.7°180.0°
C09C08C14N130.1°0.3°
C08C09C10BR11178.7°180.0°
C08C09C10C120.2°0.2°
C14C08C09C100.4°0.0°
C08C14C15N13178.8°179.8°
C08C14C15O16171.3°179.9°
C08C14N13C120.4°0.3°
C08C14C15H18.7°0.0°
C14C08C09H7179.6°180.0°
C09C10BR11C12178.9°179.8°
C09C10C12N130.2°0.2°
C09C10C12H8179.8°179.7°
C14C15O16H1180.0°179.9°
C15C14N13C12179.2°179.9°
O16C15C14N139.9°0.2°
C14N13C12C100.6°0.1°
N13C14C15H1170.1°179.7°
C14N13C12H8179.4°180.0°
BR11C10C12N13179.1°180.0°
BR11C10C09H71.3°0.1°
BR11C10C12H80.9°0.0°
C10C12N13H8180.0°179.9°
C12C10C09H7179.8°179.8°
H3C03C04H40.4°0.3°

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PDB entries from 2024-08-07

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