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L4K

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.53Å1.50Å
C2C3sing1.53Å1.53Å
C4C3sing1.53Å1.51Å
C4C5sing1.51Å1.51Å
C1Csing1.53Å1.47Å
C5C6doub1.38Å1.39ÅAromatic
C5C10sing1.38Å1.39ÅAromatic
C6C7sing1.38Å1.39ÅAromatic
C10C9doub1.38Å1.39ÅAromatic
C7C8doub1.38Å1.39ÅAromatic
C9C8sing1.38Å1.39ÅAromatic
C8Ssing1.76Å1.78Å
NSsing1.66Å1.59Å
O1Sdoub1.42Å1.43Å
SOdoub1.42Å1.45Å
NH1sing0.97Å1.00Å
NH2sing0.97Å1.00Å
CH3sing1.09Å1.10Å
CH4sing1.09Å1.10Å
CH5sing1.09Å1.10Å
C1H6sing1.09Å1.10Å
C1H7sing1.09Å1.10Å
C10H8sing1.08Å1.08Å
C2H9sing1.09Å1.10Å
C2H10sing1.09Å1.10Å
C3H11sing1.09Å1.10Å
C3H12sing1.09Å1.10Å
C4H13sing1.09Å1.10Å
C4H14sing1.09Å1.10Å
C6H15sing1.08Å1.08Å
C7H16sing1.08Å1.08Å
C9H17sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3115.4°109.5°
C2C1C110.1°109.5°
C2C1H6109.3°109.4°
C2C1H7109.3°109.4°
C1C2H9108.0°109.5°
C1C2H10108.0°109.5°
C2C3C4111.9°109.5°
C3C2H9108.0°109.4°
C3C2H10108.0°109.4°
C2C3H11108.9°109.4°
C2C3H12108.8°109.4°
C3C4C5114.2°109.5°
C4C3H11108.8°109.5°
C4C3H12108.9°109.5°
C3C4H13108.3°109.4°
C3C4H14108.3°109.4°
C4C5C6120.6°120.0°
C4C5C10121.3°120.0°
C5C4H13108.3°109.5°
C5C4H14108.3°109.5°
C1CH3109.5°109.5°
C1CH4109.4°109.5°
C1CH5109.5°109.5°
CC1H6109.3°109.5°
CC1H7109.3°109.5°
C6C5C10118.2°120.0°
C5C6C7121.4°120.0°
C5C6H15119.3°120.0°
C5C10C9121.5°120.0°
C5C10H8119.3°120.0°
C6C7C8119.4°120.0°
C7C6H15119.3°120.0°
C6C7H16120.3°120.0°
C10C9C8119.4°120.0°
C9C10H8119.3°120.0°
C10C9H17120.3°120.0°
C7C8C9120.1°120.0°
C7C8S120.7°120.0°
C8C7H16120.3°120.0°
C9C8S119.2°120.0°
C8C9H17120.3°120.0°
C8SN107.1°107.2°
C8SO1105.7°106.4°
C8SO105.6°106.4°
NSO1110.4°106.4°
NSO109.9°106.4°
SNH1109.5°120.1°
SNH2109.5°119.9°
O1SO117.5°123.1°
H1NH2109.5°120.0°
H3CH4109.5°109.4°
H3CH5109.4°109.5°
H4CH5109.5°109.4°
H6C1H7109.5°109.5°
H9C2H10109.5°109.5°
H11C3H12109.5°109.5°
H13C4H14109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3H9120.9°120.0°
C1C2C3H10120.9°120.0°
C1C2C3C4166.8°NaN°
C2C1CH6120.1°120.0°
C2C1CH7120.1°120.0°
C2C1CH3180.0°60.0°
C2C1CH460.0°60.0°
C2C1CH560.0°180.0°
C2C1H6H7119.7°120.0°
C1C2H9H10117.3°120.1°
C1C2C3H1146.5°60.0°
C1C2C3H1272.8°60.0°
C2C3C4H11120.4°120.0°
C2C3C4H12120.4°120.0°
C2C3C4C5178.3°180.0°
C3C2C1C60.5°180.0°
C3C2C1H659.6°60.0°
C3C2C1H7179.4°60.0°
C3C2H9H10117.3°120.0°
C2C3H11H12118.9°120.0°
C2C3C4H1361.0°60.0°
C2C3C4H1457.6°60.0°
C3C4C5H13120.7°120.0°
C3C4C5H14120.7°120.0°
C3C4C5C667.5°90.0°
C3C4C5C10113.0°90.0°
C4C3C2H972.3°60.0°
C4C3C2H1046.0°60.0°
C4C3H11H12118.9°120.0°
C3C4H13H14117.8°120.0°
C4C5C6C10179.5°180.0°
C4C5C6C7179.0°180.0°
C4C5C10C9178.6°180.0°
C4C5C10H81.5°0.3°
C5C4C3H1158.0°60.0°
C5C4C3H1261.3°60.0°
C5C4H13H14117.8°120.1°
C4C5C6H151.0°0.0°
C1CH3H4120.0°120.0°
C1CH3H5120.0°120.1°
C1CH4H5120.0°120.0°
CC1H6H7119.7°120.1°
CC1C2H960.4°60.1°
CC1C2H10178.6°60.0°
C5C6C7H15180.0°180.0°
C6C5C10C91.0°0.0°
C5C6C7C80.7°0.0°
C6C5C10H8179.0°179.7°
C6C5C4H13171.8°30.0°
C6C5C4H1453.2°150.0°
C5C6C7H16179.3°180.0°
C10C5C6C70.5°0.0°
C5C10C9H8180.0°179.7°
C5C10C9C80.2°0.0°
C10C5C4H137.7°150.0°
C10C5C4H14126.3°30.0°
C10C5C6H15179.5°180.0°
C5C10C9H17179.8°179.7°
C6C7C8H16180.0°180.0°
C6C7C8C91.5°0.0°
C6C7C8S179.6°180.0°
C10C9C8C71.0°0.0°
C10C9C8H17180.0°179.8°
C10C9C8S180.0°180.0°
C7C8C9S179.0°179.9°
C7C8SN45.8°90.0°
C7C8SO1163.6°23.5°
C7C8SO71.2°156.4°
C8C7C6H15179.3°180.0°
C7C8C9H17178.9°179.8°
C9C8SN135.2°90.0°
C9C8SO117.5°156.4°
C9C8SO107.7°23.5°
C8C9C10H8179.8°179.7°
C9C8C7H16178.5°179.9°
C8SNO1114.6°113.6°
C8SNO114.2°113.5°
C8SO1O117.4°123.0°
C8SNH1180.0°150.0°
C8SNH260.0°30.3°
SC8C7H160.4°0.0°
SC8C9H170.0°0.3°
NSO1O127.0°122.9°
SNH1H2120.0°179.7°
O1SNH165.4°96.4°
O1SNH254.6°83.3°
OSNH165.7°36.5°
OSNH2174.2°143.8°
H3CH4H5120.0°120.0°
H3CC1H659.9°60.0°
H3CC1H759.9°179.9°
H4CC1H6179.9°180.0°
H4CC1H760.1°60.0°
H5CC1H660.1°60.1°
H5CC1H7179.9°60.0°
H6C1C2H9179.5°180.0°
H6C1C2H1061.3°60.0°
H7C1C2H959.7°60.0°
H7C1C2H1058.5°180.0°
H8C10C9H170.2°0.1°
H9C2C3H11167.4°180.0°
H9C2C3H1248.1°60.0°
H10C2C3H1174.4°60.0°
H10C2C3H12166.3°NaN°
H11C3C4H13178.7°180.0°
H11C3C4H1462.7°60.0°
H12C3C4H1359.4°60.0°
H12C3C4H14178.0°180.0°
H15C6C7H160.7°0.1°

223532

PDB entries from 2024-08-07

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