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AEX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18C17sing1.53Å1.52Å
C17C16sing1.53Å1.52Å
C16C15sing1.53Å1.54Å
C15N14sing1.47Å1.45Å
N14C12sing1.39Å1.41Å
C12C13doub1.39Å1.42ÅAromatic
C12N11sing1.33Å1.38ÅAromatic
C13C07sing1.39Å1.38ÅAromatic
N11C10doub1.32Å1.33ÅAromatic
C07C05sing1.47Å1.45ÅAromatic
C07C08doub1.41Å1.42ÅAromatic
C10C08sing1.39Å1.40ÅAromatic
C06C05doub1.39Å1.39ÅAromatic
C06C01sing1.38Å1.38ÅAromatic
C05C04sing1.40Å1.43ÅAromatic
C08N09sing1.38Å1.39ÅAromatic
C01C02doub1.39Å1.40ÅAromatic
C04N09sing1.38Å1.39ÅAromatic
C04C03doub1.39Å1.40ÅAromatic
C02C03sing1.38Å1.38ÅAromatic
C10H101sing1.08Å1.08Å
C13H131sing1.08Å1.08Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C01H011sing1.08Å1.08Å
C02H021sing1.08Å1.08Å
C03H031sing1.08Å1.08Å
C06H061sing1.08Å1.08Å
N09H091sing0.97Å1.00Å
N14H141sing0.97Å1.00Å
C16H162sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H183sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18C17C16112.9°109.4°
C18C17H172108.6°109.5°
C18C17H171108.6°109.5°
C17C18H181109.5°109.4°
C17C18H183109.4°109.5°
C17C18H182109.5°109.5°
C17C16C15112.9°109.4°
C16C17H172108.6°109.5°
C16C17H171108.6°109.5°
C17C16H162108.6°109.5°
C17C16H161108.6°109.5°
C16C15N14113.7°109.4°
C16C15H151108.4°109.5°
C16C15H152108.4°109.5°
C15C16H162108.6°109.5°
C15C16H161108.6°109.5°
C15N14C12126.0°120.0°
N14C15H151108.4°109.5°
N14C15H152108.4°109.4°
C15N14H141105.2°120.0°
N14C12C13119.6°119.6°
N14C12N11116.8°119.5°
C12N14H141105.2°120.0°
C13C12N11123.7°120.9°
C12C13C07117.9°118.7°
C12C13H131121.0°120.7°
C12N11C10117.7°122.3°
C13C07C05135.6°134.6°
C13C07C08118.1°118.8°
C07C13H131121.1°120.6°
N11C10C08122.3°120.7°
N11C10H101118.8°119.6°
C05C07C08106.3°106.6°
C07C05C06135.3°133.6°
C07C05C04106.4°106.5°
C07C08C10120.3°118.6°
C07C08N09109.7°108.2°
C10C08N09130.0°133.2°
C08C10H101118.8°119.7°
C05C06C01118.9°119.9°
C06C05C04118.3°119.9°
C05C06H061120.6°120.1°
C06C01C02121.9°120.2°
C06C01H011119.1°119.9°
C01C06H061120.5°120.0°
C05C04N09109.6°108.4°
C05C04C03122.6°119.4°
C08N09C04108.0°110.3°
C08N09H091126.0°124.9°
C01C02C03121.1°120.6°
C02C01H011119.0°119.8°
C01C02H021119.4°119.7°
N09C04C03127.7°132.2°
C04N09H091126.0°124.8°
C04C03C02117.1°120.0°
C04C03H031121.4°120.0°
C03C02H021119.5°119.7°
C02C03H031121.4°120.0°
H151C15H152109.5°109.5°
H172C17H171109.5°109.5°
H162C16H161109.4°109.5°
H181C18H183109.5°109.5°
H181C18H182109.5°109.5°
H183C18H182109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18C17C16H172120.5°120.0°
C18C17C16H171120.5°120.0°
C18C17C16C15163.8°NaN°
C18C17H172H171118.4°120.0°
C18C17C16H16243.3°60.0°
C18C17C16H16175.7°60.0°
C17C18H181H183120.0°120.0°
C17C18H181H182120.0°120.0°
C17C18H183H182120.0°120.0°
C17C16C15H162120.5°120.0°
C17C16C15H161120.5°120.0°
C17C16C15N1472.6°180.0°
C17C16C15H15148.0°60.0°
C17C16C15H152166.8°60.0°
C16C17H172H171118.4°120.0°
C17C16H162H161118.4°120.0°
C16C17C18H181180.0°180.0°
C16C17C18H18360.0°60.0°
C16C17C18H18260.0°60.0°
C16C15N14H151120.6°120.0°
C16C15N14H152120.6°119.9°
C16C15N14C12161.0°180.0°
C16C15H151H152118.0°120.0°
C15C16C17H17275.7°60.0°
C15C16C17H17143.3°60.0°
C16C15N14H14138.8°0.1°
C15C16H162H161118.4°120.0°
C15N14C12H141122.2°179.9°
C15N14C12C136.5°0.0°
C15N14C12N11173.6°179.8°
N14C15H151H152118.1°120.0°
N14C15C16H162166.9°60.0°
N14C15C16H16147.9°60.0°
N14C12C13N11179.9°179.8°
N14C12C13C07180.0°180.0°
N14C12N11C10179.8°179.8°
N14C12C13H1310.0°0.5°
C12N14C15H15178.4°60.0°
C12N14C15H15240.4°60.0°
C12C13C07H131180.0°179.5°
C13C12N11C100.2°0.0°
C12C13C07C05180.0°179.8°
C12C13C07C080.1°0.4°
C13C12N14H141115.7°179.9°
N11C12C13C070.1°0.2°
C12N11C10C080.4°0.0°
C12N11C10H101179.6°179.7°
N11C12C13H131179.9°179.7°
N11C12N14H14164.2°0.3°
C13C07C05C08179.9°179.4°
C13C07C08C100.1°0.5°
C13C07C05C060.0°0.6°
C13C07C05C04179.9°179.4°
C13C07C08N09179.9°179.5°
N11C10C08C070.4°0.3°
N11C10C08H101180.0°179.7°
N11C10C08N09179.7°179.7°
C05C07C08C10179.8°180.0°
C07C05C06C04180.0°179.9°
C07C05C06C01180.0°180.0°
C05C07C08N090.1°0.0°
C07C05C04N090.0°0.0°
C07C05C04C03180.0°180.0°
C05C07C13H1310.0°0.7°
C07C05C06H0610.1°0.0°
C07C08C10N09180.0°179.9°
C08C07C05C06179.9°179.9°
C08C07C05C040.1°0.0°
C07C08N09C040.1°0.1°
C07C08C10H101179.6°180.0°
C08C07C13H131179.9°180.0°
C07C08N09H091179.9°180.0°
C10C08N09C04179.8°180.0°
C10C08N09H0910.2°0.1°
C05C06C01H061180.0°180.0°
C05C06C01C020.0°0.0°
C06C05C04N09180.0°180.0°
C06C05C04C030.1°0.1°
C05C06C01H011180.0°180.0°
C01C06C05C040.0°0.1°
C06C01C02H011180.0°179.9°
C06C01C02C030.0°0.0°
C06C01C02H021180.0°179.9°
C05C04N09C080.0°0.1°
C05C04N09C03179.9°180.0°
C05C04C03C020.1°0.1°
C05C04C03H031179.9°180.0°
C04C05C06H061180.0°180.0°
C05C04N09H091180.0°180.0°
C08N09C04H091180.0°179.9°
C08N09C04C03179.9°180.0°
N09C08C10H1010.3°0.0°
C01C02C03C040.0°0.0°
C01C02C03H021180.0°180.0°
C01C02C03H031180.0°180.0°
C02C01C06H061179.9°180.0°
N09C04C03C02180.0°180.0°
N09C04C03H0310.0°0.0°
C04C03C02H031180.0°180.0°
C04C03C02H021180.0°179.9°
C03C04N09H0910.1°0.0°
C03C02C01H011180.0°180.0°
H151C15N14H141159.4°119.9°
H151C15C16H16272.5°180.0°
H151C15C16H161168.5°60.0°
H152C15N14H14181.8°120.0°
H152C15C16H16246.2°60.0°
H152C15C16H16172.7°180.0°
H172C17C16H162163.8°180.0°
H172C17C16H16144.8°60.0°
H172C17C18H18159.5°60.0°
H172C17C18H18360.5°180.0°
H172C17C18H182179.5°60.0°
H171C17C16H16277.2°60.0°
H171C17C16H161163.8°180.0°
H171C17C18H18159.5°60.0°
H171C17C18H183179.5°60.0°
H171C17C18H18260.5°180.0°
H011C01C02H0210.0°0.0°
H011C01C06H0610.1°0.1°
H021C02C03H0310.0°0.0°
H181C18H183H182120.0°120.0°

223532

PDB entries from 2024-08-07

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