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1U2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16C15doub1.36Å1.36ÅAromatic
C16C17sing1.41Å1.43ÅAromatic
C15C7sing1.40Å1.45ÅAromatic
N1C1doub1.30Å1.38Å
C11C10doub1.38Å1.40ÅAromatic
C11C12sing1.38Å1.40ÅAromatic
C18C17doub1.40Å1.42ÅAromatic
C18C2sing1.38Å1.37ÅAromatic
C10C9sing1.39Å1.40ÅAromatic
C17C5sing1.42Å1.40ÅAromatic
OC8doub1.22Å1.25Å
C1N2sing1.38Å1.30Å
C1C2sing1.48Å1.52Å
C12C13doub1.38Å1.39ÅAromatic
C8N3sing1.35Å1.44Å
C8N4sing1.35Å1.39Å
C2C3doub1.41Å1.46ÅAromatic
C7N3sing1.40Å1.41Å
C7C6doub1.38Å1.38ÅAromatic
C9N4sing1.40Å1.42Å
C9C14doub1.39Å1.42ÅAromatic
C5C6sing1.40Å1.42ÅAromatic
C5C4doub1.41Å1.43ÅAromatic
C13C14sing1.38Å1.40ÅAromatic
C3C4sing1.36Å1.36ÅAromatic
N4H8sing0.97Å1.00Å
C14H13sing1.08Å1.08Å
C13H12sing1.08Å1.08Å
C12H11sing1.08Å1.08Å
C11H10sing1.08Å1.08Å
C10H9sing1.08Å1.08Å
N3H7sing0.97Å1.00Å
C6H6sing1.08Å1.08Å
C15H14sing1.08Å1.08Å
C16H15sing1.08Å1.08Å
C4H5sing1.08Å1.08Å
C3H4sing1.08Å1.08Å
C18H16sing1.08Å1.08Å
N2H3sing0.97Å1.00Å
N2H2sing0.97Å1.00Å
N1H1sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15C16C17120.0°119.9°
C16C15C7119.5°121.0°
C16C15H14120.3°119.5°
C15C16H15120.0°120.1°
C16C17C18118.7°121.0°
C16C17C5120.5°119.6°
C17C16H15120.0°120.1°
C15C7N3119.7°119.7°
C15C7C6121.3°120.7°
C7C15H14120.3°119.5°
N1C1N2120.8°120.0°
N1C1C2119.9°120.0°
C1N1H1112.0°120.0°
C10C11C12120.9°120.1°
C11C10C9118.8°119.9°
C10C11H10119.5°120.0°
C11C10H9120.6°120.0°
C11C12C13120.1°120.1°
C11C12H11120.0°119.9°
C12C11H10119.6°120.0°
C17C18C2120.3°119.5°
C18C17C5120.7°119.5°
C17C18H16119.8°120.3°
C18C2C1120.0°119.7°
C18C2C3118.6°120.5°
C2C18H16119.9°120.2°
C10C9N4119.9°120.1°
C10C9C14120.5°119.9°
C9C10H9120.6°120.1°
C17C5C6119.9°119.4°
C17C5C4119.3°119.7°
OC8N3125.2°120.0°
OC8N4123.1°120.0°
N2C1C2119.1°120.0°
C1N2H3120.0°120.0°
C1N2H2120.0°120.0°
C1C2C3121.4°119.7°
C12C13C14120.3°120.1°
C12C13H12119.9°119.9°
C13C12H11120.0°120.0°
N3C8N4111.7°120.0°
C8N3C7125.8°120.0°
C8N3H7117.1°120.0°
C8N4C9124.1°120.0°
C8N4H8117.9°120.0°
C2C3C4121.5°120.9°
C2C3H4119.3°119.6°
N3C7C6119.1°119.6°
C7N3H7117.1°120.0°
C7C6C5118.8°119.6°
C7C6H6120.6°120.2°
N4C9C14119.6°120.0°
C9N4H8117.9°120.0°
C9C14C13119.4°119.9°
C9C14H13120.3°120.1°
C6C5C4120.8°121.0°
C5C6H6120.6°120.2°
C5C4C3119.5°120.0°
C5C4H5120.2°120.0°
C13C14H13120.3°120.0°
C14C13H12119.9°120.0°
C3C4H5120.3°120.0°
C4C3H4119.3°119.6°
H3N2H2120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15C16C17H15180.0°179.9°
C16C15C7H14180.0°180.0°
C15C16C17C18177.0°180.0°
C15C16C17C50.9°0.3°
C16C15C7N3179.5°179.9°
C16C15C7C61.3°0.2°
C17C16C15C72.0°0.1°
C16C17C18C5177.8°179.7°
C16C17C18C2178.6°179.7°
C16C17C5C61.0°0.2°
C16C17C5C4177.9°180.0°
C17C16C15H14178.1°180.0°
C16C17C18H161.4°0.1°
C15C7N3C822.7°33.7°
C15C7N3C6179.2°179.7°
C15C7C6C50.6°0.3°
C15C7N3H7157.2°146.2°
C15C7C6H6179.4°179.8°
C7C15C16H15178.0°180.0°
N1C1C2C1822.0°0.0°
N1C1N2C2175.5°180.0°
N1C1C2C3160.3°179.4°
N1C1N2H3175.5°180.0°
N1C1N2H24.5°0.0°
C10C11C12H10180.0°179.4°
C11C10C9H9180.0°179.4°
C10C11C12C130.4°0.3°
C11C10C9N4179.0°179.7°
C11C10C9C140.2°0.6°
C10C11C12H11179.6°179.7°
C12C11C10C90.8°0.6°
C11C12C13H11180.0°179.9°
C11C12C13C140.7°0.0°
C11C12C13H12179.4°179.9°
C12C11C10H9179.2°179.9°
C17C18C2H16180.0°179.8°
C17C18C2C1177.4°180.0°
C17C18C2C30.4°0.6°
C18C17C5C6178.8°180.0°
C18C17C5C40.1°0.2°
C18C17C16H153.0°0.0°
C2C18C17C50.8°0.5°
C18C2C1N2162.5°180.0°
C18C2C1C3177.7°179.4°
C18C2C3C42.2°0.3°
C18C2C3H4177.8°179.7°
C10C9N4C8137.4°36.1°
C10C9N4C14179.2°179.7°
C10C9C14C130.8°0.2°
C10C9N4H842.5°143.9°
C10C9C14H13179.2°179.8°
C9C10C11H10179.2°180.0°
C17C5C6C71.7°0.0°
C17C5C6C4178.9°179.8°
C17C5C4C31.6°0.0°
C17C5C6H6178.3°180.0°
C5C17C16H15179.1°179.7°
C17C5C4H5178.4°180.0°
C5C17C18H16179.2°179.7°
OC8N3N4178.9°179.6°
OC8N3C72.4°5.3°
OC8N4C91.8°4.5°
OC8N4H8178.2°175.4°
OC8N3H7177.6°174.8°
N2C1C2C315.2°0.6°
C1N2H3H2180.0°180.0°
N2C1N1H1175.5°179.9°
C1C2C3C4175.6°179.7°
C1C2C3H44.4°0.3°
C1C2C18H162.5°0.2°
C2C1N2H30.0°0.0°
C2C1N2H2180.0°180.0°
C2C1N1H10.0°0.1°
C12C13C14C91.3°0.0°
C12C13C14H12180.0°179.9°
C12C13C14H13178.7°180.0°
C13C12C11H10179.6°179.7°
C8N3C7H7180.0°180.0°
C8N3C7C6158.0°146.5°
N3C8N4C9179.3°175.1°
N3C8N4H80.7°5.0°
N4C8N3C7178.7°174.4°
C8N4C9H8180.0°179.9°
C8N4C9C1443.4°144.2°
N4C8N3H71.3°5.6°
C2C3C4C52.8°0.0°
C2C3C4H4180.0°180.0°
C2C3C4H5177.2°179.9°
C3C2C18H16179.7°179.6°
N3C7C6C5178.6°180.0°
N3C7C6H61.3°0.1°
N3C7C15H140.5°0.0°
C7C6C5H6180.0°179.9°
C7C6C5C4177.2°179.7°
C6C7N3H722.0°33.5°
C6C7C15H14178.8°179.8°
N4C9C14C13180.0°180.0°
N4C9C14H130.0°0.1°
N4C9C10H91.0°0.3°
C9C14C13H13180.0°180.0°
C14C9N4H8136.7°35.9°
C9C14C13H12178.7°180.0°
C14C9C10H9179.8°180.0°
C6C5C4C3179.4°179.7°
C6C5C4H50.6°0.2°
C5C4C3H5180.0°179.9°
C4C5C6H62.7°0.2°
C5C4C3H4177.2°180.0°
C14C13C12H11179.3°180.0°
H13C14C13H121.2°0.0°
H12C13C12H110.7°0.0°
H11C12C11H100.4°0.4°
H10C11C10H90.8°0.6°
H14C15C16H151.9°0.0°
H5C4C3H42.8°0.0°

217705

PDB entries from 2024-03-27

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