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A1JGV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C02O01doub1.21Å1.21Å
N04C03sing1.47Å1.47Å
C06C05sing1.51Å1.54Å
C08C07sing1.38Å1.39ÅAromatic
C07C06doub1.38Å1.40ÅAromatic
C09C06sing1.38Å1.38ÅAromatic
C10C09doub1.38Å1.40ÅAromatic
F11C10sing1.35Å1.35Å
C12C10sing1.39Å1.39ÅAromatic
F13C12sing1.35Å1.36Å
C05N04sing1.47Å1.45Å
C14N04sing1.35Å1.49Å
O15C14doub1.22Å1.23Å
C03C02sing1.52Å1.50Å
N16C02sing1.35Å1.46Å
C17N16sing1.40Å1.43Å
C18C17doub1.39Å1.37ÅAromatic
C19C18sing1.39Å1.39ÅAromatic
BR20C19sing1.89Å1.97Å
C21C19doub1.38Å1.39ÅAromatic
N22C21sing1.32Å1.30ÅAromatic
C23N22doub1.32Å1.33ÅAromatic
C08C12doub1.38Å1.37ÅAromatic
C14N16sing1.34Å1.48Å
C17C23sing1.39Å1.37ÅAromatic
C21H211sing1.08Å1.08Å
C03H031sing1.09Å1.10Å
C03H032sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C05H051sing1.09Å1.10Å
C07H071sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C09H091sing1.08Å1.08Å
C18H181sing1.08Å1.08Å
C23H231sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O01C02C03126.3°127.1°
O01C02N16128.2°127.1°
C03N04C05124.4°126.7°
C03N04C14109.0°106.6°
N04C03C02108.4°103.6°
N04C03H031109.7°110.6°
N04C03H032109.7°110.7°
C05C06C07115.2°119.9°
C05C06C09126.5°120.0°
C06C05N04126.7°109.4°
C06C05H052105.0°109.5°
C06C05H051105.0°109.4°
C08C07C06122.9°120.1°
C07C08C12118.9°120.0°
C08C07H071118.5°120.0°
C07C08H081120.6°120.0°
C07C06C09118.1°120.1°
C06C07H071118.6°119.9°
C06C09C10118.8°119.9°
C06C09H091120.6°120.1°
C09C10F11120.0°120.0°
C09C10C12122.4°120.0°
C10C09H091120.6°120.0°
F11C10C12117.6°120.0°
C10C12F13122.7°120.1°
C10C12C08118.9°119.9°
F13C12C08118.4°120.0°
C05N04C14126.2°126.7°
N04C05H052105.0°109.5°
N04C05H051105.0°109.5°
N04C14O15129.0°123.7°
N04C14N16105.5°112.4°
O15C14N16125.5°123.8°
C03C02N16105.6°105.7°
C02C03H031109.7°110.6°
C02C03H032109.7°110.6°
C02N16C17129.6°124.2°
C02N16C14111.4°111.6°
N16C17C18114.8°120.5°
C17N16C14118.9°124.2°
N16C17C23125.5°120.5°
C17C18C19118.2°118.4°
C18C17C23119.5°119.0°
C17C18H181120.9°120.8°
C18C19BR20119.5°120.4°
C18C19C21118.1°119.2°
C19C18H181120.9°120.8°
BR20C19C21122.4°120.4°
C19C21N22122.5°120.9°
C19C21H211118.8°119.5°
C21N22C23119.7°121.8°
N22C21H211118.7°119.6°
N22C23C17121.8°120.8°
N22C23H231119.1°119.6°
C12C08H081120.6°120.0°
C17C23H231119.1°119.7°
H031C03H032109.5°110.6°
H052C05H051109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O01C02C03N04178.4°180.0°
O01C02C03N16179.2°179.8°
O01C02N16C172.7°0.2°
O01C02N16C14179.9°179.8°
O01C02C03H03158.6°61.5°
O01C02C03H03261.8°61.4°
C03N04C05C0690.7°90.0°
C03N04C05C14171.8°179.9°
C03N04C14O15179.7°180.0°
N04C03C02H031119.8°118.5°
N04C03C02H032119.8°118.6°
N04C03C02N160.8°0.2°
C03N04C14N162.7°0.3°
N04C03H031H032120.5°123.0°
C03N04C05H05231.6°150.0°
C03N04C05H051147.0°29.9°
C05C06C07C08177.6°179.5°
C05C06C07C09175.7°180.0°
C05C06C09C10176.4°180.0°
C06C05N04H052122.3°120.0°
C06C05N04H051122.3°119.9°
C06C05N04C1497.5°90.0°
C06C05H052H051112.3°120.0°
C05C06C07H0712.4°0.1°
C05C06C09H0913.6°0.1°
C08C07C06H071180.0°179.4°
C08C07C06C091.9°0.6°
C07C08C12C100.7°0.5°
C07C08C12F13179.9°179.4°
C07C08C12H081180.0°179.2°
C07C06C09C101.2°0.0°
C07C06C05N04142.2°90.0°
C06C07C08C121.7°0.8°
C07C06C05H05219.9°30.0°
C07C06C05H05195.5°150.0°
C06C07C08H081178.3°180.0°
C07C06C09H091178.7°180.0°
C06C09C10H091180.0°180.0°
C06C09C10F11178.8°180.0°
C06C09C10C120.4°0.3°
C09C06C05N0442.5°90.0°
C09C06C05H052164.8°150.0°
C09C06C05H05179.8°30.0°
C09C06C07H071178.1°180.0°
C09C10F11C12179.3°179.7°
C09C10C12F13179.3°180.0°
C09C10C12C080.1°0.0°
F11C10C12F130.0°0.3°
F11C10C12C08179.1°179.7°
F11C10C09H0911.2°0.0°
C10C12F13C08179.2°180.0°
C10C12C08H081179.3°179.7°
C12C10C09H091179.6°179.7°
F13C12C08H0810.1°0.3°
C05N04C14O156.9°0.1°
C05N04C03C02175.2°180.0°
C05N04C14N16175.5°179.8°
C05N04C03H03164.9°61.5°
C05N04C03H03255.4°61.5°
N04C05H052H051112.3°120.0°
N04C14O15N16177.1°179.7°
C14N04C03C022.3°0.0°
N04C14N16C022.3°0.4°
N04C14N16C17179.8°180.0°
C14N04C03H031122.1°118.5°
C14N04C03H032117.6°118.6°
C14N04C05H052140.2°30.0°
C14N04C05H05124.8°150.0°
O15C14N16C02179.9°179.8°
O15C14N16C172.6°0.2°
C03C02N16C17178.1°180.0°
C03C02N16C140.9°0.4°
C02C03H031H032120.5°122.8°
C02N16C17C14177.0°179.6°
C02N16C17C1887.6°173.8°
C02N16C17C2397.8°6.4°
N16C02C03H031120.7°118.7°
N16C02C03H032119.0°118.4°
N16C17C18C23175.0°179.7°
N16C17C18C19177.0°180.0°
N16C17C23N22175.5°180.0°
N16C17C18H1813.0°0.1°
N16C17C23H2314.6°0.0°
C17C18C19H181180.0°179.9°
C17C18C19BR20179.1°180.0°
C17C18C19C210.2°0.0°
C18C17C23N221.0°0.2°
C18C17N16C1489.4°5.7°
C18C17C23H231179.0°179.7°
C18C19BR20C21178.8°180.0°
C18C19C21N223.7°0.3°
C19C18C17C232.0°0.3°
C18C19C21H211176.3°180.0°
BR20C19C21N22177.5°179.7°
BR20C19C21H2112.5°0.0°
BR20C19C18H1810.9°0.1°
C19C21N22H211180.0°179.7°
C19C21N22C234.7°0.3°
C21C19C18H181179.8°179.9°
C21N22C23C172.3°0.0°
C21N22C23H231177.7°180.0°
N22C23C17H231180.0°179.9°
C23N22C21H211175.3°180.0°
C12C08C07H071178.3°179.8°
C14N16C17C2385.2°174.0°
C23C17C18H181178.0°179.8°
H071C07C08H0811.7°0.6°

250835

PDB entries from 2026-03-18

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