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09V

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1sing1.43Å1.40Å
C1C2sing1.53Å1.47Å
C4C2sing1.53Å1.48Å
C4C3sing1.53Å1.48Å
C2C3sing1.53Å1.48Å
O1H1sing0.97Å0.95Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1C2118.5°109.5°
C1O1H1109.5°114.0°
O1C1H2107.2°109.4°
O1C1H3107.2°109.4°
C1C2C4108.3°117.5°
C1C2C3108.6°117.5°
C2C1H2107.1°109.5°
C2C1H3107.2°109.5°
C1C2H4121.6°115.6°
C2C4C360.1°60.0°
C4C2C360.1°60.0°
C4C2H4121.4°117.5°
C2C4H7120.0°117.4°
C2C4H8120.0°117.5°
C4C3C259.8°60.0°
C4C3H5120.0°117.5°
C4C3H6120.0°117.6°
C3C4H7120.0°117.4°
C3C4H8120.0°117.5°
C3C2H4121.3°117.5°
C2C3H5120.0°117.5°
C2C3H6120.0°117.5°
H2C1H3109.5°109.5°
H5C3H6109.5°115.6°
H7C4H8109.5°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2H2121.3°120.0°
O1C1C2H3121.3°119.9°
O1C1C2C4132.8°116.3°
O1C1C2C3163.5°175.0°
O1C1H2H3115.9°119.9°
O1C1C2H415.2°29.4°
C1C2C4C3101.3°107.5°
C1C2C4H4148.1°145.1°
C1C2C3H4148.4°145.0°
C2C1O1H1180.0°180.0°
C2C1H2H3115.9°120.1°
C1C2C3H58.5°145.0°
C1C2C3H6149.7°0.0°
C1C2C4H78.1°0.0°
C1C2C4H8149.2°145.0°
C2C4C3H7109.5°107.4°
C2C4C3H8109.5°107.5°
C4C2C3H4110.7°107.5°
C4C2C1H2105.9°123.7°
C4C2C1H311.5°3.6°
C2C4C3H5109.4°107.5°
C2C4C3H6109.4°107.5°
C2C4H7H8144.7°145.7°
C4C3H5H6144.9°145.7°
C3C4H7H8144.7°145.7°
C3C2C1H242.2°55.0°
C3C2C1H375.2°65.1°
C2C3H5H6144.8°145.7°
H1O1C1H258.7°60.0°
H1O1C1H358.7°60.0°
H2C1C2H4106.1°90.6°
H3C1C2H4136.5°149.3°
H4C2C3H5139.9°0.0°
H4C2C3H61.3°145.0°
H4C2C4H7139.9°145.1°
H4C2C4H81.1°0.0°
H5C3C4H70.1°145.0°
H5C3C4H8141.1°0.0°
H6C3C4H7141.1°0.0°
H6C3C4H80.1°145.0°

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