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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCdoub1.21Å1.26Å
CO1sing1.35Å1.25Å
CC1sing1.48Å1.51Å
C11C10doub1.38Å1.38ÅAromatic
C11C1sing1.40Å1.39ÅAromatic
C10C9sing1.38Å1.38ÅAromatic
C1C2doub1.39Å1.39ÅAromatic
C9C3doub1.39Å1.39ÅAromatic
C2C3sing1.39Å1.39ÅAromatic
C3C4sing1.48Å1.48Å
C4C5doub1.39Å1.39ÅAromatic
C4Nsing1.33Å1.34ÅAromatic
C5C6sing1.38Å1.38ÅAromatic
NC8doub1.32Å1.34ÅAromatic
C6C7doub1.39Å1.37ÅAromatic
C8C7sing1.38Å1.38ÅAromatic
C2Hsing1.08Å1.08Å
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
O1H8sing0.97Å0.95Å
C10H6sing1.08Å1.08Å
C11H7sing1.08Å1.08Å
C7H3sing1.08Å1.08Å
C8H4sing1.08Å1.08Å
C9H5sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCO1124.5°120.0°
OCC1118.4°120.0°
O1CC1117.1°120.0°
CO1H8109.5°117.0°
CC1C11121.1°120.1°
CC1C2119.9°120.1°
C10C11C1120.2°120.1°
C11C10C9120.3°120.3°
C11C10H6119.9°119.9°
C10C11H7119.9°119.9°
C11C1C2119.1°119.8°
C1C11H7119.9°119.9°
C10C9C3120.6°120.2°
C9C10H6119.8°119.9°
C10C9H5119.7°119.9°
C1C2C3121.4°119.8°
C1C2H119.3°120.1°
C9C3C2118.4°119.8°
C9C3C4121.3°120.1°
C3C9H5119.7°119.9°
C2C3C4120.3°120.1°
C3C2H119.3°120.1°
C3C4C5121.9°119.8°
C3C4N116.0°119.7°
C5C4N122.1°120.5°
C4C5C6118.7°119.1°
C4C5H1120.6°120.4°
C4NC8117.6°121.6°
C5C6C7119.7°118.5°
C6C5H1120.7°120.5°
C5C6H2120.2°120.8°
NC8C7123.7°120.9°
NC8H4118.1°119.6°
C6C7C8118.1°119.3°
C7C6H2120.2°120.7°
C6C7H3121.0°120.3°
C8C7H3121.0°120.4°
C7C8H4118.1°119.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCO1C1179.0°180.0°
OCC1C1149.8°179.8°
OCC1C2131.5°0.0°
OCO1H80.0°0.1°
O1CC1C11131.2°0.3°
O1CC1C247.6°180.0°
CC1C11C10179.2°179.7°
CC1C11C2178.8°179.8°
CC1C2C3179.1°180.0°
CC1C2H0.9°0.1°
C1CO1H8179.0°180.0°
CC1C11H70.8°0.3°
C10C11C1H7180.0°179.5°
C11C10C9H6180.0°179.2°
C10C11C1C20.4°0.1°
C11C10C9C30.4°0.8°
C11C10C9H5179.6°180.0°
C1C11C10C90.0°0.5°
C11C1C2C30.3°0.2°
C11C1C2H179.7°179.7°
C1C11C10H6180.0°179.8°
C10C9C3H5180.0°179.2°
C10C9C3C20.5°0.5°
C10C9C3C4178.5°179.5°
C9C10C11H7179.9°180.0°
C1C2C3C90.1°0.0°
C1C2C3H180.0°179.9°
C1C2C3C4178.8°180.0°
C2C1C11H7179.6°179.5°
C9C3C2C4179.0°180.0°
C9C3C4C575.8°0.0°
C9C3C4N105.3°179.7°
C9C3C2H179.9°179.9°
C3C9C10H6179.6°180.0°
C2C3C4C5103.2°180.0°
C2C3C4N75.7°0.3°
C2C3C9H5179.5°179.8°
C3C4C5N178.8°179.7°
C3C4C5C6178.7°180.0°
C3C4NC8179.0°180.0°
C4C3C2H1.2°0.1°
C3C4C5H11.3°0.1°
C4C3C9H51.5°0.3°
C4C5C6H1180.0°179.9°
C5C4NC80.1°0.3°
C4C5C6C70.3°0.0°
C4C5C6H2179.8°179.9°
NC4C5C60.1°0.3°
C4NC8C70.2°0.0°
NC4C5H1179.9°179.8°
C4NC8H4179.8°179.9°
C5C6C7H2180.0°179.9°
C5C6C7C80.2°0.3°
C5C6C7H3179.8°180.0°
NC8C7C60.0°0.3°
NC8C7H4180.0°179.9°
NC8C7H3180.0°180.0°
C6C7C8H3180.0°179.7°
C7C6C5H1179.8°179.9°
C6C7C8H4180.0°179.6°
C8C7C6H2179.8°179.8°
H1C5C6H20.2°0.0°
H2C6C7H30.2°0.1°
H6C10C11H70.1°0.8°
H6C10C9H50.4°0.8°
H3C7C8H40.0°0.1°

226707

PDB entries from 2024-10-30

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