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SummaryGeometryRelated PDB entries

CJ4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C05C04sing1.53Å1.54Å
C05N06sing1.46Å1.46Å
C04C03sing1.53Å1.53Å
N02C03sing1.47Å1.47Å
N02C01sing1.47Å1.47Å
N06C07sing1.46Å1.46Å
N06C08sing1.39Å1.35Å
N09C08doub1.32Å1.34ÅAromatic
N09C10sing1.33Å1.34ÅAromatic
C08N14sing1.32Å1.34ÅAromatic
C10C11doub1.38Å1.35ÅAromatic
N14C13doub1.33Å1.33ÅAromatic
C11C13sing1.40Å1.41ÅAromatic
C11F12sing1.35Å1.37Å
C13N15sing1.39Å1.34Å
N15C18sing1.48Å1.48Å
N15C16sing1.48Å1.47Å
C18C17sing1.54Å1.56Å
C16C17sing1.54Å1.58Å
C17C19sing1.51Å1.50Å
C29C28sing1.40Å1.43ÅAromatic
C29C30doub1.35Å1.34ÅAromatic
C28C27doub1.36Å1.35ÅAromatic
C30N31sing1.37Å1.38ÅAromatic
C19O20doub1.21Å1.23Å
C19N21sing1.35Å1.35Å
C27C26sing1.41Å1.42ÅAromatic
N21C22sing1.46Å1.47Å
N31C26sing1.37Å1.39ÅAromatic
N31C23sing1.37Å1.39ÅAromatic
C26N25doub1.33Å1.31ÅAromatic
C23C22sing1.51Å1.49Å
C23C24doub1.35Å1.36ÅAromatic
N25C24sing1.34Å1.37ÅAromatic
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
C03H4sing1.09Å1.10Å
C03H5sing1.09Å1.10Å
C04H6sing1.09Å1.10Å
C04H7sing1.09Å1.10Å
C05H8sing1.09Å1.10Å
C05H9sing1.09Å1.10Å
C07H10sing1.09Å1.10Å
C07H11sing1.09Å1.10Å
C07H12sing1.09Å1.10Å
C10H13sing1.08Å1.08Å
C16H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C17H16sing1.09Å1.10Å
C18H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C22H19sing1.09Å1.10Å
C22H20sing1.09Å1.10Å
C24H21sing1.08Å1.08Å
C27H22sing1.08Å1.08Å
C28H23sing1.08Å1.08Å
C29H24sing1.08Å1.08Å
C30H25sing1.08Å1.08Å
N02H26sing1.01Å1.00Å
N21H28sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C04C05N06112.1°109.4°
C05C04C03111.7°109.4°
C05C04H6108.9°109.4°
C05C04H7108.9°109.5°
C04C05H8108.8°109.4°
C04C05H9108.8°109.5°
C05N06C07117.7°120.0°
C05N06C08120.2°120.0°
N06C05H8108.8°109.5°
N06C05H9108.8°109.5°
C04C03N02110.6°109.4°
C04C03H4109.2°109.5°
C04C03H5109.2°109.4°
C03C04H6108.9°109.5°
C03C04H7108.9°109.5°
C03N02C01114.7°111.0°
N02C03H4109.2°109.5°
N02C03H5109.2°109.4°
C03N02H26108.1°111.0°
N02C01H1109.5°109.5°
N02C01H2109.4°109.5°
N02C01H3109.5°109.5°
C01N02H26108.2°111.0°
C07N06C08122.1°120.0°
N06C07H10109.5°109.4°
N06C07H11109.5°109.5°
N06C07H12109.5°109.5°
N06C08N09117.7°119.2°
N06C08N14118.8°119.1°
C08N09C10117.3°121.0°
N09C08N14123.5°121.7°
N09C10C11122.2°119.2°
N09C10H13118.9°120.4°
C08N14C13119.4°120.6°
C10C11C13118.2°118.5°
C10C11F12122.0°120.7°
C11C10H13118.9°120.4°
N14C13C11119.3°119.0°
N14C13N15118.1°120.5°
C13C11F12119.8°120.8°
C11C13N15122.7°120.5°
C13N15C18133.9°111.0°
C13N15C16129.2°111.0°
C18N15C1695.5°90.8°
N15C18C1787.8°86.2°
N15C18H17114.6°113.7°
N15C18H18114.6°113.9°
N15C16C1787.3°86.2°
N15C16H14114.7°113.8°
N15C16H15114.7°113.9°
C18C17C1688.0°86.3°
C18C17C19113.4°113.7°
C18C17H16113.7°113.8°
C17C18H17114.6°113.7°
C17C18H18114.6°113.8°
C16C17C19111.1°113.7°
C17C16H14114.7°113.8°
C17C16H15114.7°113.8°
C16C17H16113.3°113.7°
C17C19O20122.2°120.0°
C17C19N21115.3°120.0°
C19C17H16114.6°113.0°
C28C29C30120.3°120.3°
C29C28C27120.8°119.7°
C29C28H23119.6°120.1°
C28C29H24119.8°119.9°
C29C30N31119.1°120.6°
C30C29H24119.8°119.8°
C29C30H25120.4°119.7°
C28C27C26119.3°119.3°
C28C27H22120.4°120.3°
C27C28H23119.6°120.2°
C30N31C26122.3°120.5°
C30N31C23131.0°132.5°
N31C30H25120.5°119.7°
O20C19N21122.5°120.0°
C19N21C22122.2°120.0°
C19N21H28118.9°120.0°
C27C26N31118.3°119.6°
C27C26N25131.1°132.3°
C26C27H22120.3°120.4°
N21C22C23113.1°109.5°
N21C22H19108.6°109.5°
N21C22H20108.6°109.4°
C22N21H28118.9°120.0°
C26N31C23106.7°107.0°
N31C26N25110.7°108.1°
N31C23C22124.1°126.4°
N31C23C24105.0°107.2°
C26N25C24106.1°109.2°
C22C23C24130.9°126.4°
C23C22H19108.5°109.5°
C23C22H20108.6°109.5°
C23C24N25111.5°108.6°
C23C24H21124.3°125.7°
N25C24H21124.2°125.7°
H1C01H2109.5°109.5°
H1C01H3109.5°109.5°
H2C01H3109.4°109.4°
H4C03H5109.5°109.5°
H6C04H7109.5°109.5°
H8C05H9109.5°109.5°
H10C07H11109.5°109.4°
H10C07H12109.4°109.4°
H11C07H12109.5°109.5°
H14C16H15109.5°112.9°
H17C18H18109.5°113.0°
H19C22H20109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C04C05N06H8120.4°119.9°
C04C05N06H9120.4°120.0°
C05C04C03H6120.3°119.9°
C05C04C03H7120.3°120.0°
C05C04C03N0244.9°180.0°
C04C05N06C0777.1°90.0°
C04C05N06C08102.7°90.0°
C05C04C03H4165.0°60.0°
C05C04C03H575.3°60.1°
C05C04H6H7119.0°120.0°
C04C05H8H9118.8°120.0°
N06C05C04C0370.5°180.0°
C05N06C07C08179.8°180.0°
C05N06C08N0915.5°0.3°
C05N06C08N14164.0°180.0°
N06C05C04H6169.2°60.0°
N06C05C04H749.9°60.0°
N06C05H8H9118.8°120.1°
C05N06C07H10180.0°90.0°
C05N06C07H1160.0°150.1°
C05N06C07H1260.0°30.0°
C04C03N02H4120.1°120.0°
C04C03N02H5120.2°119.9°
C04C03N02C01168.4°180.0°
C04C03H4H5119.5°120.0°
C03C04H6H7119.0°120.1°
C03C04C05H8169.1°60.0°
C03C04C05H949.9°60.0°
C04C03N02H2647.6°56.1°
C03N02C01H26120.8°123.9°
C03N02C01H1180.0°60.0°
C03N02C01H260.0°60.0°
C03N02C01H360.0°180.0°
N02C03H4H5119.5°120.0°
N02C03C04H675.5°60.1°
N02C03C04H7165.2°60.0°
N02C01H1H2120.0°120.0°
N02C01H1H3120.0°120.1°
N02C01H2H3119.9°120.0°
C01N02C03H471.5°60.0°
C01N02C03H548.2°60.1°
C07N06C08N09164.7°179.7°
C07N06C08N1415.8°0.0°
C07N06C05H843.3°30.0°
C07N06C05H9162.5°150.0°
N06C07H10H11120.0°120.0°
N06C07H10H12120.0°120.0°
N06C07H11H12120.0°120.1°
N06C08N09N14179.5°179.7°
N06C08N09C10179.8°179.7°
N06C08N14C13179.7°180.0°
C08N06C05H8136.9°150.0°
C08N06C05H917.7°30.0°
C08N06C07H100.2°90.0°
C08N06C07H11119.8°29.9°
C08N06C07H12120.2°150.0°
C08N09C10C110.1°0.1°
N09C08N14C130.1°0.3°
C08N09C10H13179.9°179.8°
C10N09C08N140.3°0.1°
N09C10C11H13180.0°179.7°
N09C10C11C130.2°0.3°
N09C10C11F12179.9°179.8°
C08N14C13C110.2°0.5°
C08N14C13N15179.8°179.9°
C10C11C13N140.3°0.5°
C10C11C13F12179.9°179.9°
C10C11C13N15179.9°179.9°
N14C13C11N15179.5°179.5°
N14C13C11F12179.8°179.6°
N14C13N15C1811.1°0.5°
N14C13N15C16151.8°98.9°
C11C13N15C18168.5°180.0°
C11C13N15C1628.6°80.6°
C13C11C10H13179.8°180.0°
F12C11C13N150.2°0.0°
F12C11C10H130.1°0.1°
C13N15C18C16166.7°112.9°
C13N15C18C17176.0°137.6°
C13N15C16C17176.8°137.6°
C13N15C16H1467.1°23.2°
C13N15C16H1560.8°108.0°
C13N15C18H1759.9°108.1°
C13N15C18H1867.8°23.3°
N15C18C17H17116.1°114.3°
N15C18C17H18116.1°114.5°
C18N15C16C179.1°24.7°
N15C18C17C19120.7°138.1°
C18N15C16H14125.2°89.6°
C18N15C16H15106.9°139.1°
N15C18C17H16106.1°90.6°
N15C18H17H18130.3°131.8°
N15C16C17H14116.0°114.3°
N15C16C17H15116.0°114.4°
N15C16C17C19123.0°138.1°
N15C16H14H15130.5°131.8°
N15C16C17H16106.4°90.7°
C16N15C18H17106.8°139.0°
C16N15C18H18125.4°89.6°
C18C17C16C19114.3°114.3°
C18C17C16H16115.0°114.5°
C18C17C19H16132.8°131.7°
C18C17C19O20109.7°96.7°
C18C17C19N2170.5°83.3°
C18C17C16H14124.6°90.6°
C18C17C16H15107.4°138.2°
C17C18H17H18130.3°131.7°
C16C17C19H16130.0°131.6°
C16C17C19O2012.5°0.0°
C16C17C19N21167.7°180.0°
C17C16H14H15130.6°131.6°
C16C17C18H17107.6°138.0°
C16C17C18H18124.7°90.7°
C17C19O20N21179.8°180.0°
C17C19N21C22180.0°180.0°
C19C17C16H14121.0°23.7°
C19C17C16H156.9°107.5°
C19C17C18H174.6°107.7°
C19C17C18H18123.2°23.6°
C17C19N21H280.0°0.0°
C28C29C30H24180.0°179.7°
C29C28C27H23180.0°180.0°
C28C29C30N310.2°0.4°
C29C28C27C260.2°0.0°
C29C28C27H22179.8°180.0°
C28C29C30H25179.8°180.0°
C30C29C28C270.1°0.3°
C29C30N31H25180.0°179.7°
C29C30N31C260.2°0.1°
C29C30N31C23179.8°179.4°
C30C29C28H23179.9°179.7°
C28C27C26H22180.0°180.0°
C28C27C26N310.2°0.2°
C28C27C26N25179.9°180.0°
C27C28C29H24180.0°180.0°
C30N31C26C270.1°0.2°
C30N31C26C23179.6°179.6°
C30N31C26N25179.9°180.0°
C30N31C23C220.5°0.3°
C30N31C23C24179.9°179.9°
N31C30C29H24179.8°179.9°
O20C19N21C220.2°0.0°
O20C19C17H16117.5°131.6°
O20C19N21H28179.8°180.0°
C19N21C22H28180.0°180.0°
C19N21C22C2366.6°180.0°
N21C19C17H1662.3°48.4°
C19N21C22H19172.9°60.0°
C19N21C22H2054.0°60.0°
C27C26N31N25180.0°179.8°
C27C26N31C23179.7°179.8°
C27C26N25C24179.9°180.0°
C26C27C28H23179.7°180.0°
N21C22C23N3153.3°85.3°
N21C22C23H19120.5°120.0°
N21C22C23H20120.6°120.0°
N21C22C23C24126.2°95.0°
N21C22H19H20118.4°119.9°
C26N31C23C22179.9°179.9°
C26N31C23C240.3°0.4°
N31C26N25C240.1°0.2°
N31C26C27H22179.9°179.8°
C26N31C30H25179.7°179.8°
C23N31C26N250.3°0.4°
N31C23C22C24179.5°179.7°
N31C23C24N250.2°0.2°
N31C23C22H1967.3°34.7°
N31C23C22H20173.8°154.7°
N31C23C24H21179.7°179.8°
C23N31C30H250.2°0.3°
C26N25C24C230.1°0.0°
C26N25C24H21179.9°180.0°
N25C26C27H220.1°0.1°
C22C23C24N25179.8°179.9°
C23C22H19H20118.3°120.0°
C22C23C24H210.2°0.1°
C23C22N21H28113.4°0.0°
C23C24N25H21180.0°180.0°
C24C23C22H19113.3°144.9°
C24C23C22H205.6°24.9°
H1C01H2H3120.0°120.0°
H1C01N02H2659.2°176.1°
H2C01N02H26179.3°63.9°
H3C01N02H2660.8°56.0°
H4C03C04H644.7°59.9°
H4C03C04H774.6°180.0°
H4C03N02H26167.8°176.1°
H5C03C04H6164.4°180.0°
H5C03C04H745.0°59.9°
H5C03N02H2672.6°63.8°
H6C04C05H848.8°180.0°
H6C04C05H970.4°60.0°
H7C04C05H870.5°60.0°
H7C04C05H9170.2°180.0°
H10C07H11H12120.0°120.0°
H14C16C17H169.6°154.9°
H15C16C17H16137.6°23.7°
H16C17C18H17137.8°23.6°
H16C17C18H1810.0°154.9°
H19C22N21H287.1°120.0°
H20C22N21H28126.0°120.0°
H22C27C28H230.2°0.0°
H23C28C29H240.1°0.0°
H24C29C30H250.2°0.2°

222624

PDB entries from 2024-07-17

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