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SummaryGeometryRelated PDB entries

A1AKJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C01C02doub1.39Å1.38ÅAromatic
C01C06sing1.41Å1.39Å
C01S07sing1.76Å1.72ÅAromatic
C02N03sing1.40Å1.35Å
C02N09sing1.32Å1.40ÅAromatic
N03C04sing1.34Å1.33Å
C04N05sing1.34Å1.35Å
C04O11doub1.22Å1.19Å
N05O12sing1.42Å1.40Å
N05C06sing1.35Å1.34Å
C06O10doub1.22Å1.19Å
S07C08sing1.71Å1.70ÅAromatic
C08N09doub1.30Å1.33ÅAromatic
C08C13sing1.48Å1.53Å
C13C14doub1.40Å1.39ÅAromatic
C13C18sing1.40Å1.39ÅAromatic
C14C15sing1.38Å1.39ÅAromatic
C15C16doub1.38Å1.39ÅAromatic
C16C17sing1.38Å1.39ÅAromatic
C17C18doub1.38Å1.39ÅAromatic
C14H141sing1.08Å1.08Å
C15H151sing1.08Å1.08Å
C16H161sing1.08Å1.08Å
C17H171sing1.08Å1.08Å
C18H181sing1.08Å1.08Å
N03H1sing0.97Å1.00Å
O12H121sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C02C01C06117.8°119.7°
C02C01S07104.6°108.2°
C01C02N03119.9°117.8°
C01C02N09115.1°112.6°
C06C01S07137.6°132.1°
C01C06N05120.0°119.5°
C01C06O10119.7°120.3°
C01S07C0897.6°90.5°
N03C02N09125.0°129.6°
C02N03C04121.0°120.6°
C02N03H1119.5°119.7°
C02N09C08115.8°117.9°
N03C04N05120.3°121.9°
N03C04O11119.7°119.0°
C04N03H1119.5°119.8°
N05C04O11120.0°119.1°
C04N05O12119.5°119.7°
C04N05C06120.8°120.6°
O12N05C06119.7°119.7°
N05O12H121109.5°114.0°
N05C06O10120.2°120.2°
S07C08N09106.9°110.8°
S07C08C13126.1°124.6°
N09C08C13127.0°124.6°
C08C13C14120.2°120.1°
C08C13C18119.7°120.2°
C14C13C18120.1°119.7°
C13C14C15120.3°119.9°
C13C14H141119.8°120.1°
C13C18C17119.5°119.9°
C13C18H181120.2°120.0°
C14C15C16119.7°120.1°
C15C14H141119.9°120.0°
C14C15H151120.1°119.9°
C15C16C17119.9°120.4°
C16C15H151120.1°120.0°
C15C16H161120.0°119.8°
C16C17C18120.4°120.1°
C17C16H161120.0°119.9°
C16C17H171119.8°120.0°
C18C17H171119.8°119.9°
C17C18H181120.3°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C02C01C06S07179.9°179.6°
C01C02N03N09180.0°179.9°
C01C02N03C040.1°0.1°
C02C01C06N050.0°0.0°
C02C01C06O10179.9°180.0°
C02C01S07C080.3°0.4°
C01C02N09C080.2°0.0°
C01C02N03H1179.9°180.0°
C06C01C02N030.0°0.1°
C06C01C02N09180.0°180.0°
C01C06N05C040.0°0.0°
C01C06N05O12179.9°180.0°
C01C06N05O10180.0°179.9°
C06C01S07C08179.8°180.0°
S07C01C02N03179.9°179.8°
S07C01C02N090.1°0.3°
S07C01C06N05179.9°179.6°
S07C01C06O100.0°0.4°
C01S07C08N090.4°0.4°
C01S07C08C13179.4°179.9°
C02N03C04H1180.0°179.9°
C02N03C04N050.1°0.1°
C02N03C04O11179.8°179.9°
N03C02N09C08179.8°180.0°
N09C02N03C04179.9°180.0°
C02N09C08S070.4°0.3°
C02N09C08C13179.4°180.0°
N09C02N03H10.1°0.1°
N03C04N05O11180.0°179.9°
N03C04N05O12180.0°180.0°
N03C04N05C060.1°0.0°
C04N05O12C06179.9°180.0°
C04N05C06O10180.0°179.9°
N05C04N03H1179.9°180.0°
C04N05O12H1210.0°0.0°
O11C04N05O120.0°0.1°
O11C04N05C06179.9°179.9°
O11C04N03H10.1°0.0°
O12N05C06O100.2°0.1°
C06N05O12H121179.9°180.0°
S07C08N09C13179.0°179.8°
S07C08C13C14157.3°179.7°
S07C08C13C1823.7°0.0°
N09C08C13C1423.9°0.0°
N09C08C13C18155.1°179.7°
C08C13C14C18179.0°179.7°
C08C13C14C15179.8°180.0°
C08C13C18C17179.6°179.8°
C08C13C14H1410.2°0.0°
C08C13C18H1810.4°0.0°
C13C14C15H141180.0°180.0°
C13C14C15C160.5°0.0°
C14C13C18C170.6°0.6°
C13C14C15H151179.5°180.0°
C14C13C18H181179.4°179.7°
C18C13C14C150.8°0.3°
C13C18C17C160.2°0.6°
C13C18C17H181180.0°179.7°
C18C13C14H141179.2°179.7°
C13C18C17H171179.8°179.7°
C14C15C16H151180.0°180.0°
C14C15C16C170.1°0.0°
C14C15C16H161179.9°180.0°
C15C16C17H161180.0°180.0°
C15C16C17C180.1°0.3°
C16C15C14H141179.5°180.0°
C15C16C17H171179.9°180.0°
C16C17C18H171180.0°179.7°
C17C16C15H151179.9°180.0°
C16C17C18H181179.8°179.7°
C18C17C16H161179.9°179.7°
H141C14C15H1510.5°0.0°
H151C15C16H1610.1°0.0°
H161C16C17H1710.1°0.0°
H171C17C18H1810.2°0.0°

258009

PDB entries from 2026-08-12

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