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4E1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1Cdoub1.39Å1.38ÅAromatic
C1C2sing1.36Å1.38ÅAromatic
CC5sing1.36Å1.38ÅAromatic
C2C3doub1.41Å1.37ÅAromatic
C5C4doub1.40Å1.38ÅAromatic
C3C4sing1.42Å1.39ÅAromatic
C3N1sing1.34Å1.35ÅAromatic
C4C6sing1.41Å1.39ÅAromatic
N1C14doub1.32Å1.36ÅAromatic
C6Nsing1.37Å1.38ÅAromatic
C6C7doub1.40Å1.37ÅAromatic
NC13sing1.38Å1.38ÅAromatic
C14C7sing1.41Å1.40ÅAromatic
C14C15sing1.48Å1.46Å
OC15doub1.21Å1.34Å
C7C8sing1.47Å1.46ÅAromatic
C15O1sing1.35Å1.22Å
C13C8doub1.40Å1.40ÅAromatic
C13C12sing1.39Å1.39ÅAromatic
C8C9sing1.39Å1.38ÅAromatic
IC12sing2.10Å2.07Å
C12C11doub1.38Å1.39ÅAromatic
C9C10doub1.38Å1.41ÅAromatic
C11C10sing1.39Å1.41ÅAromatic
C5H1sing1.08Å1.08Å
C9H2sing1.08Å1.08Å
C10H3sing1.08Å1.08Å
C11H4sing1.08Å1.08Å
NH5sing0.97Å1.00Å
O1H6sing0.97Å0.95Å
CH7sing1.08Å1.08Å
C1H8sing1.08Å1.08Å
C2H9sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C2119.9°121.1°
C1CC5120.2°120.8°
C1CH7119.9°119.6°
CC1H8120.1°119.5°
C1C2C3119.9°119.8°
C2C1H8120.0°119.4°
C1C2H9120.0°120.1°
CC5C4119.8°119.7°
CC5H1120.1°120.2°
C5CH7119.9°119.6°
C2C3C4120.3°118.9°
C2C3N1119.1°120.6°
C3C2H9120.1°120.1°
C5C4C3119.9°119.7°
C5C4C6121.7°121.3°
C4C5H1120.1°120.1°
C4C3N1120.5°120.5°
C3C4C6118.4°119.0°
C3N1C14121.0°122.0°
C4C6N128.8°133.5°
C4C6C7121.3°117.8°
N1C14C7120.2°121.1°
N1C14C15112.9°119.5°
NC6C7109.9°108.7°
C6NC13109.9°110.3°
C6NH5125.0°124.8°
C6C7C14118.5°119.6°
C6C7C8105.5°106.4°
NC13C8106.8°108.2°
NC13C12132.6°132.5°
C13NH5125.1°124.9°
C7C14C15126.9°119.4°
C14C7C8136.0°134.0°
C14C15O115.5°120.0°
C14C15O1120.6°120.0°
OC15O1123.6°120.0°
C7C8C13107.9°106.3°
C7C8C9131.2°133.7°
C15O1H6109.5°117.0°
C8C13C12120.6°119.3°
C13C8C9120.9°120.0°
C13C12I120.2°120.0°
C13C12C11120.0°120.0°
C8C9C10118.3°119.8°
C8C9H2120.9°120.1°
IC12C11119.7°120.0°
C12C11C10119.3°120.6°
C12C11H4120.4°119.7°
C9C10C11121.0°120.3°
C10C9H2120.9°120.1°
C9C10H3119.5°119.8°
C11C10H3119.5°119.9°
C10C11H4120.4°119.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C2H8180.0°179.7°
C1CC5H7180.0°179.9°
CC1C2C30.8°0.3°
C1CC5C40.9°0.0°
C1CC5H1179.1°179.9°
CC1C2H9179.2°179.9°
C2C1CC51.5°0.2°
C1C2C3H9180.0°179.7°
C1C2C3C40.5°0.0°
C1C2C3N1179.2°179.4°
C2C1CH7178.5°179.6°
CC5C4H1180.0°180.0°
CC5C4C30.4°0.3°
CC5C4C6178.5°180.0°
C5CC1H8178.5°180.0°
C2C3C4C51.1°0.2°
C2C3C4N1178.7°179.5°
C2C3C4C6179.3°180.0°
C2C3N1C14178.1°180.0°
C3C2C1H8179.2°180.0°
C5C4C3C6178.2°179.8°
C5C4C3N1179.8°179.7°
C5C4C6N0.2°0.0°
C5C4C6C7178.0°180.0°
C4C5CH7179.1°179.9°
C4C3N1C140.6°0.5°
C3C4C6N177.9°179.7°
C3C4C6C73.8°0.2°
C3C4C5H1179.6°179.7°
C4C3C2H9179.5°179.7°
N1C3C4C62.0°0.5°
C3N1C14C71.4°0.3°
C3N1C14C15177.3°180.0°
N1C3C2H90.8°0.2°
C4C6NC7178.4°180.0°
C4C6NC13178.0°180.0°
C4C6C7C142.9°0.0°
C4C6C7C8178.0°180.0°
C6C4C5H11.4°0.1°
C4C6NH52.1°0.0°
N1C14C7C60.3°0.0°
N1C14C7C15178.6°179.7°
N1C14C15O19.9°104.1°
N1C14C7C8178.9°180.0°
N1C14C15O1154.2°75.9°
C6NC13H5180.0°180.0°
NC6C7C14178.5°180.0°
NC6C7C80.5°0.0°
C6NC13C80.1°0.0°
C6NC13C12179.1°180.0°
C7C6NC130.4°0.0°
C6C7C14C8178.6°180.0°
C6C7C14C15178.9°179.7°
C6C7C8C130.4°0.0°
C6C7C8C9179.1°180.0°
C7C6NH5179.5°180.0°
NC13C8C70.2°0.0°
NC13C8C12179.1°180.0°
NC13C8C9179.1°180.0°
NC13C12I2.4°0.0°
NC13C12C11179.3°180.0°
C7C14C15O161.5°75.6°
C7C14C15O124.5°104.4°
C14C7C8C13178.3°180.0°
C14C7C8C90.4°0.0°
C14C15OO1173.9°180.0°
C15C14C7C82.5°0.3°
C14C15O1H6173.6°180.0°
OC15O1H60.0°0.0°
C7C8C13C9178.9°180.0°
C7C8C13C12178.9°180.0°
C7C8C9C10178.6°180.0°
C7C8C9H21.4°0.1°
C8C13C12I178.8°180.0°
C8C13C12C110.5°0.0°
C13C8C9C100.0°0.0°
C13C8C9H2180.0°179.9°
C8C13NH5179.8°180.0°
C12C13C8C90.0°0.0°
C13C12IC11178.4°180.0°
C13C12C11C100.9°0.0°
C13C12C11H4179.1°179.9°
C12C13NH50.9°0.0°
C8C9C10H2180.0°179.9°
C8C9C10C110.4°0.0°
C8C9C10H3179.5°180.0°
IC12C11C10179.3°180.0°
IC12C11H40.7°0.1°
C12C11C10C90.9°0.0°
C12C11C10H4180.0°179.9°
C12C11C10H3179.1°180.0°
C9C10C11H3180.0°180.0°
C9C10C11H4179.1°179.9°
C11C10C9H2179.6°179.9°
H1C5CH70.9°0.0°
H2C9C10H30.4°0.1°
H3C10C11H40.9°0.0°
H7CC1H81.5°0.1°
H8C1C2H90.8°0.3°

223532

PDB entries from 2024-08-07

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