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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O5N6sing1.21Å1.42ÅAromatic
O5C4sing1.34Å1.34ÅAromatic
N6C2doub1.31Å1.35ÅAromatic
C4C3doub1.35Å1.33ÅAromatic
C2C3sing1.42Å1.39ÅAromatic
C2N1sing1.39Å1.38Å
C3H9sing1.08Å1.08Å
N1H8sing0.97Å1.00Å
N1H7sing0.97Å1.00Å
C4H10sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N6O5C4107.8°111.8°
O5N6C2105.0°111.4°
O5C4C3110.4°106.6°
O5C4H10124.8°126.7°
N6C2C3109.8°106.2°
N6C2N1121.9°126.9°
C4C3C2107.0°103.9°
C4C3H9126.5°128.0°
C3C4H10124.8°126.7°
C3C2N1128.2°126.8°
C2C3H9126.5°128.1°
C2N1H8109.5°120.0°
C2N1H7109.5°120.0°
H8N1H7109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N6O5C4C30.0°0.3°
O5N6C2C30.0°0.5°
O5N6C2N1180.0°179.8°
N6O5C4H10180.0°179.7°
C4O5N6C20.0°0.5°
O5C4C3H10180.0°180.0°
O5C4C3C20.0°0.0°
O5C4C3H9180.0°180.0°
N6C2C3C40.0°0.3°
N6C2C3N1180.0°179.7°
N6C2C3H9180.0°179.7°
N6C2N1H80.0°179.6°
N6C2N1H7120.0°0.3°
C4C3C2H9180.0°180.0°
C4C3C2N1180.0°180.0°
C3C2N1H8179.9°0.0°
C3C2N1H760.0°180.0°
C2C3C4H10180.0°180.0°
N1C2C3H90.0°0.0°
C2N1H8H7120.0°179.9°
H9C3C4H100.0°0.0°

222415

PDB entries from 2024-07-10

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