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SummaryGeometryRelated PDB entries

A1JGU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C02C01sing1.53Å1.54Å
C04C03doub1.38Å1.40ÅAromatic
C05C04sing1.38Å1.39ÅAromatic
C06C05doub1.38Å1.39ÅAromatic
C07C06sing1.38Å1.40ÅAromatic
C08C07doub1.38Å1.40ÅAromatic
C03C02sing1.51Å1.55Å
N09C02sing1.47Å1.47Å
C11C10sing1.52Å1.49Å
C13N12sing1.40Å1.41Å
C14C13doub1.39Å1.36ÅAromatic
C15C14sing1.39Å1.38ÅAromatic
BR16C15sing1.89Å1.95Å
C17C15doub1.38Å1.39ÅAromatic
N18C17sing1.32Å1.30ÅAromatic
C19N18doub1.32Å1.32ÅAromatic
N12C11sing1.35Å1.44Å
O20C11doub1.21Å1.21Å
C10N09sing1.47Å1.48Å
C21N09sing1.35Å1.47Å
O22C21doub1.22Å1.22Å
C03C08sing1.38Å1.41ÅAromatic
N12C21sing1.34Å1.50Å
C13C19sing1.39Å1.40ÅAromatic
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C17H171sing1.08Å1.08Å
C01H013sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C02H021sing1.09Å1.10Å
C04H041sing1.08Å1.08Å
C05H051sing1.08Å1.08Å
C06H061sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C14H141sing1.08Å1.08Å
C19H191sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01C02C03118.1°109.5°
C01C02N09102.5°109.5°
C02C01H013109.5°109.5°
C02C01H011109.5°109.4°
C02C01H012109.4°109.5°
C01C02H021106.1°109.5°
C03C04C05121.4°120.0°
C04C03C02117.1°120.0°
C04C03C08119.2°120.0°
C03C04H041119.3°120.0°
C04C05C06119.3°120.0°
C05C04H041119.3°120.0°
C04C05H051120.4°120.0°
C05C06C07120.1°120.0°
C06C05H051120.4°120.0°
C05C06H061120.0°119.9°
C06C07C08120.7°120.0°
C07C06H061120.0°120.0°
C06C07H071119.6°120.0°
C07C08C03119.4°120.0°
C08C07H071119.7°120.0°
C07C08H081120.3°120.0°
C03C02N09116.4°109.5°
C02C03C08123.7°120.0°
C03C02H021106.0°109.4°
C02N09C10121.7°126.7°
C02N09C21128.8°126.7°
N09C02H021106.9°109.5°
C10C11N12103.1°105.7°
C10C11O20130.8°127.2°
C11C10N09109.9°103.6°
C11C10H101109.4°110.6°
C11C10H102109.4°110.7°
N12C13C14112.5°120.5°
C13N12C11122.0°124.2°
C13N12C21123.3°124.1°
N12C13C19125.0°120.5°
C13C14C15114.0°118.4°
C14C13C19122.5°119.0°
C13C14H141123.0°120.8°
C14C15BR16116.5°120.4°
C14C15C17121.3°119.2°
C15C14H141123.0°120.8°
BR16C15C17122.2°120.4°
C15C17N18123.1°120.9°
C15C17H171118.5°119.6°
C17N18C19118.0°121.7°
N18C17H171118.4°119.5°
N18C19C13121.2°120.8°
N18C19H191119.4°119.6°
N12C11O20126.1°127.1°
C11N12C21114.7°111.7°
C10N09C21109.3°106.6°
N09C10H101109.4°110.6°
N09C10H102109.4°110.6°
N09C21O22128.9°123.8°
N09C21N12103.0°112.4°
O22C21N12128.1°123.8°
C03C08H081120.3°120.0°
C13C19H191119.4°119.7°
H101C10H102109.5°110.5°
H013C01H011109.5°109.4°
H013C01H012109.5°109.5°
H011C01H012109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01C02C03C04164.7°74.6°
C01C02C03N09122.6°120.0°
C01C02C03H021118.6°120.0°
C01C02N09H021111.3°120.0°
C01C02N09C1093.5°5.7°
C01C02N09C2180.4°174.3°
C01C02C03C0814.7°105.1°
C02C01H013H011120.0°120.0°
C02C01H013H012120.0°120.1°
C02C01H011H012120.0°120.0°
C03C04C05H041180.0°179.9°
C03C04C05C060.8°0.0°
C04C03C08C070.2°0.6°
C04C03C02C08179.4°179.7°
C04C03C02N0972.7°45.5°
C04C03C02H02146.0°165.5°
C03C04C05H051179.2°180.0°
C04C03C08H081179.7°179.7°
C04C05C06H051180.0°180.0°
C04C05C06C070.2°0.0°
C05C04C03C02179.9°180.0°
C05C04C03C080.6°0.3°
C04C05C06H061179.8°180.0°
C05C06C07H061180.0°180.0°
C05C06C07C080.7°0.2°
C06C05C04H041179.2°180.0°
C05C06C07H071179.3°180.0°
C06C07C08H071180.0°179.8°
C06C07C08C030.9°0.5°
C07C06C05H051179.9°180.0°
C06C07C08H081179.1°179.7°
C07C08C03C02179.1°179.7°
C07C08C03H081180.0°179.7°
C08C07C06H061179.3°179.7°
C03C02N09H021118.2°120.0°
C03C02N09C10136.0°114.3°
C03C02N09C2150.0°65.7°
C03C02C01H013180.0°60.0°
C03C02C01H01160.0°60.0°
C03C02C01H01260.0°180.0°
C02C03C04H0410.1°0.1°
C02C03C08H0810.9°0.0°
C02N09C10C11176.8°179.9°
C02N09C10C21175.0°180.0°
C02N09C21O224.8°0.0°
N09C02C03C08107.9°134.8°
C02N09C21N12177.2°179.9°
C02N09C10H10156.8°61.5°
C02N09C10H10263.1°61.2°
N09C02C01H01350.6°180.0°
N09C02C01H011170.6°60.0°
N09C02C01H01269.4°60.0°
C10C11N12C13178.2°180.0°
C10C11N12O20177.8°179.9°
C11C10N09H101120.1°118.6°
C11C10N09H102120.1°118.7°
C11C10N09C211.8°0.0°
C10C11N12C211.7°0.0°
C11C10H101H102119.8°123.0°
N12C13C14C19179.2°179.7°
N12C13C14C15178.4°180.0°
N12C13C19N18178.0°180.0°
C13N12C11C21176.5°180.0°
C13N12C11O204.0°0.1°
C13N12C21N09179.3°179.9°
C13N12C21O222.7°0.0°
N12C13C14H1411.6°0.0°
N12C13C19H1912.0°0.0°
C13C14C15H141180.0°180.0°
C13C14C15BR16178.3°179.9°
C13C14C15C170.7°0.0°
C14C13C19N181.1°0.3°
C14C13N12C1187.0°174.3°
C14C13N12C2189.2°5.7°
C14C13C19H191178.9°179.7°
C14C15BR16C17179.0°180.0°
C14C15C17N180.9°0.3°
C15C14C13C190.9°0.3°
C14C15C17H171179.1°179.9°
BR16C15C17N18178.1°179.6°
BR16C15C17H1712.0°0.0°
BR16C15C14H1411.7°0.0°
C15C17N18H171180.0°179.6°
C15C17N18C191.0°0.4°
C17C15C14H141179.3°180.0°
C17N18C19C131.1°0.1°
C17N18C19H191178.9°179.9°
N18C19C13H191180.0°180.0°
C19N18C17H171178.9°180.0°
N12C11C10N090.1°0.0°
C11N12C21N092.8°0.0°
C11N12C21O22179.1°180.0°
C11N12C13C1993.8°6.0°
N12C11C10H101120.0°118.5°
N12C11C10H102120.1°118.6°
O20C11C10N09177.6°180.0°
O20C11N12C21179.5°179.9°
O20C11C10H10162.4°61.4°
O20C11C10H10257.5°61.4°
C10N09C21O22179.3°180.0°
C10N09C21N122.7°0.0°
N09C10H101H102119.8°122.8°
C10N09C02H02117.8°125.7°
N09C21O22N12177.5°180.0°
C21N09C10H101118.2°118.5°
C21N09C10H102121.9°118.7°
C21N09C02H021168.3°54.3°
C08C03C02H021133.4°14.9°
C08C03C04H041179.4°179.7°
C03C08C07H071179.1°179.7°
C21N12C13C1990.0°174.0°
C19C13C14H141179.2°179.7°
H013C01H011H012120.0°120.0°
H013C01C02H02161.4°60.0°
H011C01C02H02158.6°180.0°
H012C01C02H021178.6°60.0°
H041C04C05H0510.8°0.1°
H051C05C06H0610.1°0.0°
H061C06C07H0710.7°0.1°
H071C07C08H0810.9°0.1°

250835

PDB entries from 2026-03-18

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