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860

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N12C11sing1.31Å1.31ÅAromatic
N12C13doub1.32Å1.35ÅAromatic
C11C10doub1.40Å1.41ÅAromatic
C13C8sing1.38Å1.37ÅAromatic
C10C17sing1.40Å1.41ÅAromatic
C10C9sing1.42Å1.42ÅAromatic
C17C16doub1.36Å1.37ÅAromatic
C8C9doub1.41Å1.42ÅAromatic
C8N6sing1.40Å1.40Å
C9C14sing1.40Å1.42ÅAromatic
C16C15sing1.39Å1.41ÅAromatic
N6C3sing1.35Å1.36Å
O18C3doub1.21Å1.22Å
C3C2sing1.51Å1.53Å
CL21C5sing1.74Å1.76Å
C14C15doub1.36Å1.37ÅAromatic
C4C5doub1.38Å1.38ÅAromatic
C4C1sing1.38Å1.38ÅAromatic
C5C7sing1.38Å1.39ÅAromatic
C2C1sing1.51Å1.50Å
C1C20doub1.38Å1.41ÅAromatic
C7C19doub1.38Å1.39ÅAromatic
C20C19sing1.38Å1.39ÅAromatic
C11H1sing1.08Å1.08Å
C13H2sing1.08Å1.08Å
C14H3sing1.08Å1.08Å
C15H4sing1.08Å1.08Å
C16H5sing1.08Å1.08Å
C17H6sing1.08Å1.08Å
C19H7sing1.08Å1.08Å
C2H8sing1.09Å1.10Å
C2H9sing1.09Å1.10Å
C20H10sing1.08Å1.08Å
C4H11sing1.08Å1.08Å
C7H12sing1.08Å1.08Å
N6H13sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11N12C13118.6°122.9°
N12C11C10123.7°120.2°
N12C11H1118.2°119.9°
N12C13C8123.3°121.6°
N12C13H2118.3°119.3°
C11C10C17121.8°122.0°
C11C10C9118.4°118.7°
C10C11H1118.2°120.0°
C13C8C9119.3°118.4°
C13C8N6123.0°120.8°
C8C13H2118.3°119.2°
C17C10C9119.8°119.3°
C10C17C16120.0°119.5°
C10C17H6120.0°120.2°
C10C9C8116.8°118.2°
C10C9C14118.7°119.7°
C17C16C15120.6°121.1°
C17C16H5119.7°119.5°
C16C17H6120.0°120.3°
C9C8N6117.7°120.8°
C8C9C14124.5°122.1°
C8N6C3124.3°120.0°
C8N6H13117.9°119.9°
C9C14C15120.1°119.5°
C9C14H3119.9°120.3°
C16C15C14120.8°121.0°
C16C15H4119.6°119.5°
C15C16H5119.7°119.5°
N6C3O18123.2°120.0°
N6C3C2116.4°120.0°
C3N6H13117.8°120.1°
O18C3C2120.3°120.0°
C3C2C1113.0°109.5°
C3C2H8108.6°109.5°
C3C2H9108.6°109.5°
CL21C5C4118.3°120.0°
CL21C5C7120.3°120.0°
C15C14H3120.0°120.2°
C14C15H4119.6°119.5°
C5C4C1119.9°120.0°
C4C5C7121.4°120.0°
C5C4H11120.1°119.9°
C4C1C2120.2°120.0°
C4C1C20119.3°120.0°
C1C4H11120.1°120.1°
C5C7C19119.2°119.9°
C5C7H12120.4°120.0°
C2C1C20120.5°120.0°
C1C2H8108.6°109.5°
C1C2H9108.6°109.5°
C1C20C19120.3°120.0°
C1C20H10119.8°119.9°
C7C19C20119.9°120.1°
C7C19H7120.0°120.0°
C19C7H12120.4°120.0°
C20C19H7120.0°120.0°
C19C20H10119.9°120.1°
H8C2H9109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N12C11C10H1180.0°180.0°
C11N12C13C80.1°0.2°
N12C11C10C17180.0°180.0°
N12C11C10C90.1°0.3°
C11N12C13H2179.9°180.0°
C13N12C11C100.0°0.1°
N12C13C8H2180.0°179.8°
N12C13C8C90.3°0.2°
N12C13C8N6179.3°179.8°
C13N12C11H1180.0°180.0°
C11C10C17C9179.9°179.7°
C11C10C17C16179.9°179.7°
C11C10C9C80.3°0.3°
C11C10C9C14180.0°179.7°
C11C10C17H60.1°0.3°
C13C8C9C100.4°0.0°
C13C8C9N6179.0°180.0°
C13C8C9C14179.9°180.0°
C13C8N6C389.2°34.6°
C13C8N6H1390.8°145.4°
C10C17C16H6180.0°180.0°
C17C10C9C8179.8°179.9°
C17C10C9C140.1°0.0°
C10C17C16C150.3°0.0°
C17C10C11H10.0°0.1°
C10C17C16H5179.7°180.0°
C9C10C17C160.2°0.0°
C10C9C8C14179.7°180.0°
C10C9C8N6179.4°180.0°
C10C9C14C150.0°0.0°
C9C10C11H1179.9°179.7°
C10C9C14H3180.0°180.0°
C9C10C17H6179.7°180.0°
C17C16C15H5180.0°180.0°
C17C16C15C140.2°0.1°
C17C16C15H4179.7°180.0°
C9C8N6C389.7°145.4°
C8C9C14C15179.7°180.0°
C9C8C13H2179.7°180.0°
C8C9C14H30.3°0.1°
C9C8N6H1390.3°34.6°
N6C8C9C140.9°0.0°
C8N6C3H13180.0°180.0°
C8N6C3O180.7°4.4°
C8N6C3C2179.3°175.5°
N6C8C13H20.7°0.0°
C9C14C15C160.1°0.0°
C9C14C15H3180.0°180.0°
C9C14C15H4179.9°180.0°
C16C15C14H4180.0°179.9°
C16C15C14H3179.9°180.0°
C15C16C17H6179.7°179.9°
N6C3O18C2180.0°179.9°
N6C3C2C1157.1°180.0°
N6C3C2H882.4°60.0°
N6C3C2H936.6°60.0°
O18C3C2C122.9°0.0°
O18C3C2H897.6°120.0°
O18C3C2H9143.4°119.9°
O18C3N6H13179.3°175.6°
C3C2C1C492.3°90.3°
C3C2C1H8120.5°120.0°
C3C2C1H9120.5°120.0°
C3C2C1C2086.6°90.0°
C3C2H8H9118.4°120.0°
C2C3N6H130.6°4.5°
CL21C5C4C7179.6°180.0°
CL21C5C4C1179.8°180.0°
CL21C5C7C19179.7°179.7°
CL21C5C4H110.2°0.0°
CL21C5C7H120.3°0.0°
C14C15C16H5179.8°180.0°
C5C4C1H11180.0°180.0°
C5C4C1C2179.4°179.7°
C5C4C1C200.4°0.0°
C4C5C7C190.7°0.2°
C4C5C7H12179.3°180.0°
C1C4C5C70.6°0.0°
C4C1C2C20178.9°179.7°
C4C1C20C190.5°0.3°
C4C1C2H8147.2°29.7°
C4C1C2H928.2°149.7°
C4C1C20H10179.5°179.7°
C5C7C19H12180.0°179.7°
C5C7C19C200.7°0.5°
C5C7C19H7179.3°180.0°
C7C5C4H11179.4°180.0°
C2C1C20C19179.4°180.0°
C1C2H8H9118.4°120.0°
C2C1C20H100.6°0.0°
C2C1C4H110.6°0.3°
C1C20C19C70.6°0.5°
C1C20C19H10180.0°180.0°
C1C20C19H7179.4°180.0°
C20C1C2H833.9°150.0°
C20C1C2H9152.8°30.0°
C20C1C4H11179.5°180.0°
C7C19C20H7180.0°179.5°
C7C19C20H10179.4°179.5°
C20C19C7H12179.3°179.8°
H3C14C15H40.1°0.1°
H4C15C16H50.2°0.0°
H5C16C17H60.3°0.0°
H7C19C20H100.6°0.1°
H7C19C7H120.7°0.2°

226707

PDB entries from 2024-10-30

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