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SummaryGeometryRelated PDB entries

JD2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
N01C02sing1.38Å1.42Å
C02N03sing1.35Å1.35ÅAromatic
C02C22doub1.39Å1.39ÅAromatic
N03N04sing1.40Å1.36ÅAromatic
N24C23trip1.14Å1.14Å
C23C22sing1.43Å1.51Å
C22C05sing1.47Å1.40ÅAromatic
N04C05doub1.31Å1.33ÅAromatic
C05C06sing1.48Å1.52Å
C06C07doub1.40Å1.40ÅAromatic
C06C21sing1.39Å1.41ÅAromatic
C07C08sing1.36Å1.40ÅAromatic
C21C10doub1.39Å1.42ÅAromatic
C08C09doub1.40Å1.43ÅAromatic
C10C09sing1.41Å1.39ÅAromatic
C10N11sing1.38Å1.39ÅAromatic
C09C20sing1.46Å1.45ÅAromatic
N11C12sing1.47Å1.45Å
N11C19sing1.37Å1.35ÅAromatic
C12C13sing1.51Å1.53Å
C20C19doub1.34Å1.40ÅAromatic
C13C18doub1.38Å1.39ÅAromatic
C13N14sing1.32Å1.32ÅAromatic
C18C17sing1.39Å1.41ÅAromatic
N14C15doub1.32Å1.33ÅAromatic
C17C16doub1.39Å1.40ÅAromatic
C15C16sing1.38Å1.39ÅAromatic
C15H1sing1.08Å1.08Å
C17H2sing1.08Å1.08Å
C20H3sing1.08Å1.08Å
C21H4sing1.08Å1.08Å
N01H5sing0.97Å1.00Å
N01H6sing0.97Å1.00Å
N03H7sing0.97Å1.00Å
C07H8sing1.08Å1.08Å
C08H9sing1.08Å1.08Å
C12H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C16H12sing1.08Å1.08Å
C18H13sing1.08Å1.08Å
C19H14sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
N01C02N03125.4°126.2°
N01C02C22126.5°126.2°
C02N01H5109.5°120.0°
C02N01H6109.5°120.0°
N03C02C22108.1°107.6°
C02N03N04108.6°109.6°
C02N03H7125.7°125.2°
C02C22C23122.3°126.9°
C02C22C05105.9°106.2°
N03N04C05109.0°109.4°
N04N03H7125.7°125.2°
N24C23C22176.5°180.0°
C23C22C05131.8°126.9°
C22C05N04108.4°107.2°
C22C05C06130.2°126.5°
N04C05C06120.9°126.4°
C05C06C07120.2°119.8°
C05C06C21116.5°119.8°
C07C06C21123.0°120.4°
C06C07C08118.6°120.4°
C06C07H8120.7°119.8°
C06C21C10117.6°119.7°
C06C21H4121.2°120.1°
C07C08C09119.3°119.9°
C08C07H8120.7°119.8°
C07C08H9120.4°120.0°
C21C10C09120.5°119.4°
C21C10N11130.3°133.4°
C10C21H4121.2°120.2°
C08C09C10120.9°120.2°
C08C09C20133.5°133.8°
C09C08H9120.4°120.1°
C09C10N11109.2°107.2°
C10C09C20105.5°106.0°
C10N11C12125.4°125.0°
C10N11C19109.6°109.8°
C09C20C19107.4°107.1°
C09C20H3126.3°126.5°
C12N11C19125.0°125.1°
N11C12C13112.4°109.5°
N11C12H10108.7°109.5°
N11C12H11108.8°109.4°
N11C19C20108.4°109.9°
N11C19H14125.8°125.0°
C12C13C18117.8°119.6°
C12C13N14120.3°119.6°
C13C12H10108.8°109.5°
C13C12H11108.7°109.5°
C19C20H3126.3°126.4°
C20C19H14125.8°125.1°
C18C13N14121.9°120.8°
C13C18C17118.3°119.2°
C13C18H13120.9°120.4°
C13N14C15121.8°121.7°
C18C17C16117.9°118.4°
C18C17H2121.0°120.8°
C17C18H13120.9°120.4°
N14C15C16120.2°120.8°
N14C15H1119.9°119.6°
C17C16C15119.9°119.2°
C16C17H2121.0°120.9°
C17C16H12120.1°120.4°
C16C15H1119.9°119.7°
C15C16H12120.0°120.4°
H5N01H6109.5°120.0°
H10C12H11109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
N01C02N03C22179.1°180.0°
N01C02N03N04179.6°180.0°
N01C02C22C231.8°0.2°
N01C02C22C05178.8°180.0°
C02N01H5H6120.0°180.0°
N01C02N03H70.4°0.0°
C02N03N04H7180.0°180.0°
N03C02C22C23179.1°179.8°
N03C02C22C052.1°0.0°
C02N03N04C051.4°0.0°
N03C02N01H5180.0°0.0°
N03C02N01H660.0°180.0°
C22C02N03N040.5°0.0°
C02C22C23N240.1°93.7°
C02C22C23C05176.2°179.7°
C02C22C05N043.0°0.0°
C02C22C05C06175.0°180.0°
C22C02N01H51.1°180.0°
C22C02N01H6121.1°0.0°
C22C02N03H7179.5°180.0°
N03N04C05C222.8°0.0°
N03N04C05C06175.6°180.0°
N24C23C22C05176.2°86.6°
C23C22C05N04179.7°179.7°
C23C22C05C068.4°0.2°
C22C05N04C06172.9°180.0°
C22C05C06C076.0°34.9°
C22C05C06C21168.0°145.0°
N04C05C06C07177.1°145.1°
N04C05C06C213.2°35.0°
C05N04N03H7178.6°180.0°
C05C06C07C21173.5°179.9°
C05C06C07C08175.9°180.0°
C05C06C21C10175.9°179.9°
C05C06C21H44.2°0.0°
C05C06C07H84.1°0.1°
C06C07C08H8180.0°179.9°
C07C06C21C102.1°0.0°
C06C07C08C091.3°0.1°
C07C06C21H4177.9°180.0°
C06C07C08H9178.7°180.0°
C21C06C07C082.4°0.1°
C06C21C10H4180.0°180.0°
C06C21C10C090.8°0.0°
C06C21C10N11178.4°179.7°
C21C06C07H8177.6°180.0°
C07C08C09H9180.0°179.9°
C07C08C09C100.1°0.1°
C07C08C09C20179.5°179.7°
C21C10C09C080.2°0.0°
C21C10C09N11179.4°179.7°
C21C10C09C20179.4°179.7°
C21C10N11C121.0°0.3°
C21C10N11C19179.6°179.7°
C08C09C10C20179.6°179.8°
C08C09C10N11179.5°179.7°
C08C09C20C19179.7°179.7°
C08C09C20H30.3°0.3°
C09C08C07H8178.6°180.0°
C09C10N11C12179.7°180.0°
C09C10N11C190.3°0.0°
C10C09C20C190.2°0.0°
C10C09C20H3179.8°180.0°
C09C10C21H4179.2°180.0°
C10C09C08H9179.9°180.0°
N11C10C09C200.0°0.0°
C10N11C12C19179.3°180.0°
C10N11C12C1382.9°85.0°
C10N11C19C200.4°0.0°
N11C10C21H41.5°0.3°
C10N11C12H1037.5°35.0°
C10N11C12H11156.6°155.0°
C10N11C19H14179.6°180.0°
C09C20C19N110.4°0.0°
C09C20C19H3180.0°180.0°
C20C09C08H90.5°0.4°
C09C20C19H14179.6°180.0°
N11C12C13H10120.5°120.0°
N11C12C13H11120.4°120.0°
C12N11C19C20179.8°180.0°
N11C12C13C18165.6°125.0°
N11C12C13N1415.4°54.8°
N11C12H10H11118.7°120.0°
C12N11C19H140.2°0.0°
C19N11C12C1396.4°95.0°
N11C19C20H14180.0°180.0°
N11C19C20H3179.7°180.0°
C19N11C12H10143.1°145.0°
C19N11C12H1124.0°25.0°
C12C13C18N14179.0°179.7°
C12C13C18C17179.6°179.8°
C12C13N14C15179.4°179.7°
C13C12H10H11118.7°120.0°
C12C13C18H130.4°0.3°
C13C18C17H13180.0°180.0°
C18C13N14C150.4°0.0°
C13C18C17C160.4°0.0°
C13C18C17H2179.6°180.0°
C18C13C12H1045.1°115.0°
C18C13C12H1174.0°5.0°
N14C13C18C170.6°0.0°
C13N14C15C160.1°0.0°
C13N14C15H1179.9°180.0°
N14C13C12H10135.8°65.3°
N14C13C12H11105.1°174.7°
N14C13C18H13179.4°180.0°
C18C17C16H2180.0°180.0°
C18C17C16C150.1°0.0°
C18C17C16H12179.9°179.9°
N14C15C16C170.3°0.0°
N14C15C16H1180.0°180.0°
N14C15C16H12179.7°179.9°
C17C16C15H12180.0°179.9°
C17C16C15H1179.7°180.0°
C16C17C18H13179.6°180.0°
C15C16C17H2179.9°180.0°
H1C15C16H120.3°0.1°
H2C17C16H120.1°0.1°
H2C17C18H130.4°0.1°
H3C20C19H140.3°0.0°
H8C07C08H91.3°0.1°

226262

PDB entries from 2024-10-16

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