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SummaryGeometryRelated PDB entries

A1A45

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O06C04doub1.21Å1.26Å
C04O05sing1.34Å1.25Å
C04C02sing1.51Å1.50Å
C03C02sing1.53Å1.53Å
C01C02sing1.53Å1.52Å
C02S07sing1.81Å1.81Å
S07C08sing1.76Å1.82Å
C21C22doub1.36Å1.38ÅAromatic
C21C20sing1.39Å1.38ÅAromatic
C22C23sing1.41Å1.39ÅAromatic
C13N12sing1.47Å1.44Å
C13C14sing1.51Å1.49Å
C08N12sing1.37Å1.31ÅAromatic
C08N09doub1.31Å1.31ÅAromatic
C20C19doub1.36Å1.38ÅAromatic
N12C11sing1.38Å1.34ÅAromatic
C23C14doub1.41Å1.39ÅAromatic
C23C18sing1.42Å1.34ÅAromatic
C14C15sing1.36Å1.37ÅAromatic
N09C10sing1.36Å1.34ÅAromatic
C19C18sing1.41Å1.38ÅAromatic
C18C17doub1.41Å1.38ÅAromatic
C11C10doub1.41Å1.36ÅAromatic
C11C25sing1.39Å1.39ÅAromatic
C15C16doub1.39Å1.37ÅAromatic
C10N28sing1.33Å1.33ÅAromatic
C25C26doub1.39Å1.38ÅAromatic
C17C16sing1.36Å1.37ÅAromatic
C17BR24sing1.89Å1.90Å
N28C27doub1.32Å1.30ÅAromatic
C26C27sing1.38Å1.37ÅAromatic
C03H032sing1.09Å1.10Å
C03H031sing1.09Å1.10Å
C03H033sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C15H151sing1.08Å1.08Å
C16H161sing1.08Å1.08Å
C19H191sing1.08Å1.08Å
C20H201sing1.08Å1.08Å
C21H211sing1.08Å1.08Å
C22H221sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
C26H261sing1.08Å1.08Å
C27H271sing1.08Å1.08Å
O05H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O06C04O05122.5°120.0°
O06C04C02120.0°120.0°
O05C04C02117.5°120.0°
C04O05H1109.5°117.0°
C04C02C03107.0°109.5°
C04C02C01106.2°109.4°
C04C02S07104.9°109.5°
C03C02C01114.8°109.5°
C03C02S07109.9°109.5°
C02C03H032109.5°109.4°
C02C03H031109.5°109.4°
C02C03H033109.5°109.5°
C01C02S07113.2°109.5°
C02C01H013109.5°109.5°
C02C01H012109.5°109.5°
C02C01H011109.4°109.5°
C02S07C08121.4°100.0°
S07C08N12129.4°125.1°
S07C08N09122.9°125.1°
C22C21C20119.8°121.0°
C21C22C23119.9°119.6°
C22C21H211120.1°119.5°
C21C22H221120.1°120.2°
C21C20C19119.7°121.0°
C21C20H201120.1°119.5°
C20C21H211120.1°119.5°
C22C23C14120.9°121.3°
C22C23C18120.2°119.4°
C23C22H221120.1°120.1°
N12C13C14109.5°109.4°
C13N12C08125.9°126.4°
C13N12C11124.7°126.4°
N12C13H131109.5°109.5°
N12C13H132109.5°109.4°
C13C14C23120.4°120.1°
C13C14C15117.3°120.2°
C14C13H131109.5°109.5°
C14C13H132109.4°109.5°
N12C08N09107.7°109.8°
C08N12C11109.3°107.1°
C08N09C10109.8°109.7°
C20C19C18119.9°119.7°
C20C19H191120.0°120.2°
C19C20H201120.1°119.5°
N12C11C10106.8°106.3°
N12C11C25135.3°134.2°
C14C23C18118.9°119.3°
C23C14C15122.3°119.6°
C23C18C19120.5°119.3°
C23C18C17119.2°119.4°
C14C15C16118.4°121.0°
C14C15H151120.8°119.4°
N09C10C11106.3°107.0°
N09C10N28131.1°133.1°
C19C18C17120.4°121.3°
C18C19H191120.1°120.1°
C18C17C16122.0°119.7°
C18C17BR24120.4°120.2°
C10C11C25117.8°119.5°
C11C10N28122.6°119.9°
C11C25C26118.3°118.3°
C11C25H251120.9°120.9°
C15C16C17119.2°120.9°
C16C15H151120.8°119.5°
C15C16H161120.4°119.6°
C10N28C27121.0°121.5°
C25C26C27120.3°119.4°
C26C25H251120.9°120.8°
C25C26H261119.9°120.3°
C16C17BR24117.5°120.2°
C17C16H161120.4°119.5°
N28C27C26120.0°121.4°
N28C27H271120.0°119.3°
C27C26H261119.8°120.3°
C26C27H271120.0°119.3°
H032C03H031109.4°109.5°
H032C03H033109.5°109.5°
H031C03H033109.5°109.5°
H013C01H012109.5°109.4°
H013C01H011109.4°109.5°
H012C01H011109.5°109.5°
H131C13H132109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O06C04O05C02179.5°179.9°
O06C04C02C0344.6°120.0°
O06C04C02C0178.5°120.0°
O06C04C02S07161.3°0.1°
O06C04O05H10.0°0.0°
O05C04C02C03134.9°59.9°
O05C04C02C01102.0°60.0°
O05C04C02S0718.2°180.0°
C04C02C03C01117.6°119.9°
C04C02C03S07113.4°120.0°
C04C02C01S07114.6°120.0°
C04C02S07C08130.4°180.0°
C04C02C03H032180.0°60.0°
C04C02C03H03160.0°180.0°
C04C02C03H03360.0°60.0°
C04C02C01H013180.0°180.0°
C04C02C01H01260.0°60.1°
C04C02C01H01160.0°60.0°
C02C04O05H1179.6°179.9°
C03C02C01S07127.4°120.0°
C03C02S07C08115.0°60.0°
C02C03H032H031120.0°119.9°
C02C03H032H033120.0°120.0°
C02C03H031H033120.0°120.0°
C03C02C01H01362.0°60.0°
C03C02C01H012178.0°180.0°
C03C02C01H01158.0°60.0°
C01C02S07C0814.9°60.0°
C01C02C03H03262.4°180.0°
C01C02C03H03157.6°60.0°
C01C02C03H033177.6°60.0°
C02C01H013H012120.0°120.0°
C02C01H013H011120.0°120.0°
C02C01H012H011120.0°120.1°
C02S07C08N1239.0°180.0°
C02S07C08N09143.9°0.3°
S07C02C03H03266.6°60.0°
S07C02C03H031173.4°60.0°
S07C02C03H03353.4°180.0°
S07C02C01H01365.4°60.0°
S07C02C01H01254.7°59.9°
S07C02C01H011174.6°180.0°
S07C08N12C133.2°0.2°
S07C08N12N09177.5°179.7°
S07C08N12C11178.6°179.7°
S07C08N09C10178.9°179.7°
C22C21C20H211180.0°179.8°
C21C22C23H221180.0°179.7°
C22C21C20C190.5°0.1°
C21C22C23C14179.5°179.7°
C21C22C23C180.2°0.5°
C22C21C20H201179.5°180.0°
C20C21C22C230.5°0.2°
C21C20C19H201180.0°180.0°
C21C20C19C180.2°0.0°
C21C20C19H191179.7°179.9°
C20C21C22H221179.5°180.0°
C22C23C14C131.0°0.6°
C22C23C14C18179.3°179.1°
C22C23C14C15179.7°179.7°
C22C23C18C190.9°0.5°
C22C23C18C17179.5°179.7°
C23C22C21H211179.5°180.0°
N12C13C14H131120.0°120.0°
N12C13C14H132120.0°119.9°
C13N12C08C11178.2°179.9°
C13N12C08N09179.3°180.0°
N12C13C14C23144.4°174.2°
N12C13C14C1536.8°5.6°
C13N12C11C10178.8°180.0°
C13N12C11C251.0°0.1°
N12C13H131H132120.0°119.9°
C14C13N12C08120.7°94.6°
C14C13N12C1161.4°85.5°
C13C14C23C15178.7°179.8°
C13C14C23C18179.7°179.7°
C13C14C15C16179.0°180.0°
C14C13H131H132119.9°120.1°
C13C14C15H1511.0°0.0°
N12C08N09C101.3°0.0°
C08N12C11C100.5°0.0°
C08N12C11C25179.2°179.9°
C08N12C13H131119.3°25.5°
C08N12C13H1320.7°145.4°
N09C08N12C111.1°0.0°
C08N09C10C110.9°0.0°
C08N09C10N28179.0°180.0°
C20C19C18C230.9°0.3°
C20C19C18H191180.0°180.0°
C20C19C18C17179.5°179.9°
C19C20C21H211179.5°179.7°
N12C11C10N090.2°0.0°
N12C11C10C25179.8°179.9°
N12C11C10N28179.7°180.0°
N12C11C25C26179.5°179.9°
C11N12C13H13158.7°154.5°
C11N12C13H132178.6°34.5°
N12C11C25H2510.5°0.1°
C14C23C18C19179.8°179.7°
C14C23C18C171.2°0.5°
C23C14C15C160.3°0.2°
C23C14C13H13124.4°65.8°
C23C14C13H13295.6°54.2°
C23C14C15H151179.7°179.8°
C14C23C22H2210.5°0.6°
C18C23C14C151.0°0.5°
C23C18C19C17178.6°179.8°
C23C18C17C160.8°0.2°
C23C18C17BR24179.5°179.8°
C23C18C19H191179.1°179.8°
C18C23C22H221179.8°179.7°
C14C15C16H151180.0°180.0°
C14C15C16C170.1°0.1°
C15C14C13H131156.8°114.4°
C15C14C13H13283.2°125.6°
C14C15C16H161179.8°180.0°
N09C10C11N28179.9°180.0°
N09C10C11C25180.0°179.9°
N09C10N28C27180.0°179.9°
C19C18C17C16179.4°180.0°
C19C18C17BR240.9°0.0°
C18C19C20H201179.8°180.0°
C18C17C16C150.1°0.1°
C18C17C16BR24179.7°180.0°
C18C17C16H161179.9°179.9°
C17C18C19H1910.5°0.0°
C10C11C25C260.3°0.1°
C11C10N28C270.1°0.1°
C10C11C25H251179.7°180.0°
C25C11C10N280.1°0.1°
C11C25C26H251180.0°179.9°
C11C25C26C270.4°0.1°
C11C25C26H261179.6°180.0°
C15C16C17H161180.0°180.0°
C15C16C17BR24179.8°180.0°
C10N28C27C260.3°0.1°
C10N28C27H271179.7°180.0°
C25C26C27N280.4°0.1°
C25C26C27H261180.0°179.9°
C25C26C27H271179.6°180.0°
C17C16C15H151179.9°179.9°
BR24C17C16H1610.2°0.0°
N28C27C26H271180.0°179.9°
N28C27C26H261179.6°180.0°
C27C26C25H251179.6°180.0°
H032C03H031H033120.0°120.1°
H013C01H012H011120.0°120.0°
H151C15C16H1610.1°0.1°
H191C19C20H2010.2°0.0°
H201C20C21H2110.5°0.2°
H211C21C22H2210.5°0.2°
H251C25C26H2610.4°0.1°
H261C26C27H2710.4°0.1°

247947

PDB entries from 2026-01-21

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