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333

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C36C31doub1.40Å1.41ÅAromatic
C36C35sing1.38Å1.41ÅAromatic
C36H36sing1.08Å1.08Å
C35O39sing1.36Å1.36Å
C35C34doub1.38Å1.40ÅAromatic
O39C38sing1.44Å1.43Å
C38O37sing1.44Å1.44Å
C38H381sing1.10Å1.10Å
C38H382sing1.10Å1.10Å
O37C34sing1.36Å1.36Å
C34C33sing1.38Å1.41ÅAromatic
C33C32doub1.40Å1.40ÅAromatic
C33H33sing1.08Å1.08Å
C32C31sing1.41Å1.40ÅAromatic
C32H32sing1.09Å1.08Å
C31O28sing1.36Å1.38Å
O28C23sing1.38Å1.38Å
C23C24doub1.37Å1.40ÅAromatic
C23N22sing1.34Å1.36ÅAromatic
N22C21doub1.35Å1.36ÅAromatic
C24C25sing1.38Å1.40ÅAromatic
C24H24sing1.08Å1.08Å
C25N26doub1.35Å1.33ÅAromatic
C25H25sing1.08Å1.08Å
N26C21sing1.35Å1.36ÅAromatic
C21O17sing1.38Å1.37Å
O17C14sing1.38Å1.37Å
C14C15doub1.39Å1.41ÅAromatic
C14C13sing1.39Å1.41ÅAromatic
C15C16sing1.40Å1.40ÅAromatic
C15H15sing1.09Å1.08Å
C16C11doub1.39Å1.41ÅAromatic
C16H16sing1.09Å1.08Å
C13C12doub1.39Å1.40ÅAromatic
C13H13sing1.09Å1.08Å
C12C11sing1.40Å1.41ÅAromatic
C12H12sing1.09Å1.08Å
C11N3sing1.38Å1.35ÅAromatic
N3C4sing1.37Å1.34ÅAromatic
N3C2sing1.37Å1.33ÅAromatic
C4C5doub1.37Å1.33ÅAromatic
C4H4sing1.08Å1.08Å
C5NFEsing1.37Å1.33ÅAromatic
C5H5sing1.08Å1.08Å
NFEC2doub1.31Å1.32ÅAromatic
C2H2sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C31C36C35120.5°117.6°
C31C36H36119.8°121.1°
C36C31C32119.6°120.6°
C36C31O28121.0°119.8°
C35C36H36119.8°121.2°
C36C35O39130.9°125.9°
C36C35C34119.8°121.8°
O39C35C34109.3°112.3°
C35O39C38106.7°101.0°
C35C34O37109.2°112.3°
C35C34C33119.8°121.8°
O39C38O37106.8°113.3°
O39C38H381110.4°108.7°
O39C38H382111.0°108.7°
O37C38H381110.4°108.7°
O37C38H382111.0°108.6°
C38O37C34106.4°101.0°
H381C38H382107.4°108.8°
O37C34C33131.0°125.9°
C34C33C32120.5°117.6°
C34C33H33119.7°121.5°
C32C33H33119.7°120.9°
C33C32C31119.9°120.7°
C33C32H32120.0°119.4°
C31C32H32120.0°119.9°
C32C31O28119.3°119.6°
C31O28C23115.2°117.7°
O28C23C24118.9°118.7°
O28C23N22121.8°116.5°
C24C23N22119.3°124.9°
C23C24C25118.5°115.1°
C23C24H24120.7°123.1°
C23N22C21120.8°114.3°
N22C21N26120.1°127.0°
N22C21O17121.1°116.5°
C25C24H24120.8°121.7°
C24C25N26120.1°123.7°
C24C25H25119.9°121.0°
N26C25H25120.0°115.3°
C25N26C21121.2°115.0°
N26C21O17118.9°116.5°
C21O17C14113.5°117.2°
O17C14C15120.8°119.4°
O17C14C13119.5°119.4°
C15C14C13119.7°121.2°
C14C15C16120.1°119.4°
C14C15H15120.0°121.0°
C14C13C12120.2°119.4°
C14C13H13119.9°121.0°
C16C15H15119.9°119.6°
C15C16C11120.3°120.0°
C15C16H16119.9°119.2°
C11C16H16119.8°120.8°
C16C11C12119.2°120.0°
C16C11N3120.8°120.0°
C12C13H13119.9°119.6°
C13C12C11120.6°120.0°
C13C12H12119.7°119.3°
C11C12H12119.7°120.7°
C12C11N3120.0°120.0°
C11N3C4127.1°126.6°
C11N3C2125.8°126.6°
C4N3C2107.1°106.8°
N3C4C5108.0°105.2°
N3C4H4126.0°122.5°
N3C2NFE109.1°112.1°
N3C2H2125.5°122.4°
C5C4H4126.0°132.3°
C4C5NFE108.3°111.2°
C4C5H5125.8°127.6°
NFEC5H5125.9°121.3°
C5NFEC2107.6°104.7°
NFEC2H2125.5°125.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C31C36C35H36180.0°180.0°
C31C36C35O39177.8°180.0°
C31C36C35C340.4°0.0°
C36C31C32C330.5°0.0°
C36C31C32O28176.6°180.0°
C36C31C32H32179.5°180.0°
C36C31O28C2341.5°90.0°
C36C35O39C34178.3°180.0°
C36C35O39C38173.8°180.0°
C36C35C34O37177.3°180.0°
C36C35C34C330.6°0.0°
C35C36C31C320.2°0.0°
C35C36C31O28176.3°180.0°
H36C36C35O392.2°0.0°
H36C36C35C34179.7°180.0°
H36C36C31C32179.8°180.0°
H36C36C31O283.7°0.0°
C35O39C38O3711.0°0.1°
C35O39C38H381131.0°120.8°
C35O39C38H382110.1°120.9°
O39C35C34O374.1°0.0°
O39C35C34C33177.9°180.0°
C34C35O39C384.5°0.0°
C35C34O37C3810.9°0.0°
C35C34O37C33177.6°180.0°
C35C34C33C320.3°0.0°
C35C34C33H33179.7°179.9°
O39C38O37H381120.0°121.0°
O39C38O37H382121.1°120.9°
O39C38H381H382121.1°118.2°
O39C38O37C3413.5°0.1°
O37C38H381H382121.1°118.1°
C38O37C34C33171.5°180.0°
H381C38O37C34133.5°120.9°
H382C38O37C34107.6°120.9°
O37C34C33C32177.1°179.9°
O37C34C33H332.9°0.0°
C34C33C32H33180.0°179.9°
C34C33C32C310.2°0.0°
C34C33C32H32179.7°180.0°
C33C32C31H32180.0°180.0°
C33C32C31O28176.1°180.0°
H33C33C32C31179.7°179.9°
H33C33C32H320.3°0.1°
C32C31O28C23142.0°90.0°
H32C32C31O283.9°0.0°
C31O28C23C24166.7°180.0°
C31O28C23N2212.6°0.0°
O28C23C24N22179.3°180.0°
O28C23N22C21178.6°180.0°
O28C23C24C25179.0°180.0°
O28C23C24H241.0°0.0°
C24C23N22C210.7°0.1°
C23C24C25H24180.0°180.0°
C23C24C25N260.1°0.0°
C23C24C25H25179.9°180.0°
N22C23C24C250.3°0.0°
N22C23C24H24179.6°180.0°
C23N22C21N260.7°0.1°
C23N22C21O17178.4°180.0°
N22C21N26C250.5°0.0°
N22C21N26O17179.1°179.9°
N22C21O17C1425.8°0.0°
C24C25N26H25180.0°180.0°
C24C25N26C210.1°0.0°
H24C24C25N26179.9°180.0°
H24C24C25H250.1°0.0°
C25N26C21O17178.6°180.0°
H25C25N26C21179.8°180.0°
N26C21O17C14153.4°180.0°
C21O17C14C1584.0°90.0°
C21O17C14C1397.3°90.0°
O17C14C15C13178.7°179.9°
O17C14C15C16178.5°179.9°
O17C14C15H151.5°0.0°
O17C14C13C12178.3°179.9°
O17C14C13H131.8°0.1°
C14C15C16H15180.0°180.0°
C14C15C16C110.3°0.0°
C14C15C16H16179.7°179.9°
C15C14C13C120.5°0.0°
C15C14C13H13179.5°180.0°
C13C14C15C160.2°0.0°
C13C14C15H15179.8°180.0°
C14C13C12H13180.0°180.0°
C14C13C12C110.1°0.0°
C14C13C12H12179.9°180.0°
C15C16C11H16180.0°179.9°
C15C16C11C120.6°0.0°
C15C16C11N3178.7°180.0°
H15C15C16C11179.6°179.9°
H15C15C16H160.4°0.0°
C16C11C12C130.4°0.0°
C16C11C12N3179.4°180.0°
C16C11C12H12179.6°180.0°
C16C11N3C41.7°0.0°
C16C11N3C2179.0°180.0°
H16C16C11C12179.3°179.9°
H16C16C11N31.3°0.1°
C13C12C11H12180.0°179.9°
C13C12C11N3179.0°180.0°
H13C13C12C11179.9°180.0°
H13C13C12H120.1°0.1°
C12C11N3C4178.9°180.0°
C12C11N3C20.3°0.1°
H12C12C11N31.1°0.1°
C11N3C4C2179.4°180.0°
C11N3C4C5179.5°179.9°
C11N3C4H40.5°0.1°
C11N3C2NFE179.7°179.9°
C11N3C2H20.3°0.0°
N3C4C5H4180.0°180.0°
N3C4C5NFE0.0°0.0°
N3C4C5H5179.9°180.0°
C4N3C2NFE0.3°0.0°
C4N3C2H2179.7°180.0°
C2N3C4C50.1°0.0°
C2N3C4H4179.9°179.9°
N3C2NFEC50.3°0.0°
N3C2NFEH2180.0°179.9°
C4C5NFEH5180.0°180.0°
C4C5NFEC20.2°0.0°
H4C4C5NFE179.9°179.9°
H4C4C5H50.1°0.0°
C5NFEC2H2179.7°179.9°
H5C5NFEC2179.8°180.0°

223532

PDB entries from 2024-08-07

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