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UHY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16N2doub1.32Å1.34ÅAromatic
C16C17sing1.38Å1.38ÅAromatic
N2C15sing1.32Å1.34ÅAromatic
C17C18doub1.39Å1.38ÅAromatic
C15C14doub1.38Å1.39ÅAromatic
C18C14sing1.39Å1.39ÅAromatic
C14C3sing1.51Å1.52Å
CC1sing1.53Å1.53Å
OC2doub1.21Å1.22Å
O1C4doub1.21Å1.23Å
C2C1sing1.51Å1.51Å
C2Nsing1.35Å1.37Å
C3Nsing1.47Å1.49Å
C3C4sing1.51Å1.54Å
C20N3doub1.32Å1.34ÅAromatic
C20C19sing1.39Å1.39ÅAromatic
NC19sing1.40Å1.44Å
C4N1sing1.35Å1.35Å
C13C12sing1.51Å1.51Å
N3C21sing1.32Å1.34ÅAromatic
C19C23doub1.39Å1.39ÅAromatic
C12C11doub1.38Å1.40ÅAromatic
C12C5sing1.39Å1.40ÅAromatic
C11C10sing1.38Å1.38ÅAromatic
N1C5sing1.40Å1.42Å
C5C6doub1.39Å1.41ÅAromatic
C10C9doub1.38Å1.39ÅAromatic
C6C9sing1.38Å1.39ÅAromatic
C6C7sing1.51Å1.51Å
C21C24sing1.51Å1.54Å
C21C22doub1.38Å1.39ÅAromatic
C23C22sing1.39Å1.38ÅAromatic
C7C8sing1.53Å1.52Å
C24C26sing1.53Å1.52Å
C24C25sing1.53Å1.53Å
N1H1sing0.97Å1.00Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C10H7sing1.08Å1.08Å
C13H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
C15H11sing1.08Å1.08Å
C17H12sing1.08Å1.08Å
C20H13sing1.08Å1.08Å
C22H14sing1.08Å1.08Å
C24H15sing1.09Å1.10Å
C26H16sing1.09Å1.10Å
C26H17sing1.09Å1.10Å
C26H18sing1.09Å1.10Å
C3H19sing1.09Å1.10Å
C18H20sing1.08Å1.08Å
C16H21sing1.08Å1.08Å
C23H22sing1.08Å1.08Å
C25H23sing1.09Å1.10Å
C25H24sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C1H26sing1.09Å1.10Å
C1H27sing1.09Å1.10Å
CH28sing1.09Å1.10Å
CH29sing1.09Å1.10Å
CH30sing1.09Å1.10Å
C11H31sing1.08Å1.08Å
C9H32sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2C16C17123.3°120.8°
C16N2C15117.2°121.7°
N2C16H21118.3°119.6°
C16C17C18118.3°119.1°
C16C17H12120.8°120.4°
C17C16H21118.3°119.6°
N2C15C14124.3°120.8°
N2C15H11117.9°119.6°
C17C18C14120.1°118.4°
C18C17H12120.9°120.5°
C17C18H20119.9°120.8°
C15C14C18116.8°119.2°
C15C14C3121.5°120.4°
C14C15H11117.9°119.6°
C18C14C3120.8°120.4°
C14C18H20120.0°120.8°
C14C3N116.5°109.5°
C14C3C4111.1°109.5°
C14C3H19102.6°109.5°
CC1C2112.0°109.5°
CC1H26108.8°109.5°
CC1H27108.8°109.4°
C1CH28109.5°109.4°
C1CH29109.5°109.5°
C1CH30109.5°109.5°
OC2C1120.1°120.0°
OC2N121.5°120.0°
O1C4C3120.6°120.0°
O1C4N1123.9°120.0°
C1C2N118.4°120.0°
C2C1H26108.8°109.5°
C2C1H27108.8°109.5°
C2NC3122.4°120.1°
C2NC19121.7°120.0°
NC3C4118.3°109.5°
C3NC19115.9°120.0°
NC3H19102.9°109.4°
C3C4N1115.1°120.0°
C4C3H19102.5°109.5°
N3C20C19123.2°120.6°
C20N3C21118.3°121.8°
N3C20H13118.4°119.7°
C20C19N121.4°120.5°
C20C19C23117.9°119.0°
C19C20H13118.4°119.7°
NC19C23120.7°120.5°
C4N1C5122.8°120.0°
C4N1H1118.6°120.0°
C13C12C11120.1°120.0°
C13C12C5121.9°120.0°
C12C13H8109.5°109.5°
C12C13H9109.5°109.5°
C12C13H10109.5°109.4°
N3C21C24115.0°119.6°
N3C21C22122.3°120.9°
C19C23C22119.4°118.4°
C19C23H22120.3°120.8°
C11C12C5117.9°120.0°
C12C11C10121.3°120.0°
C12C11H31119.4°120.0°
C12C5N1118.8°120.1°
C12C5C6121.7°119.8°
C11C10C9120.1°120.1°
C11C10H7120.0°119.9°
C10C11H31119.4°120.0°
N1C5C6119.4°120.1°
C5N1H1118.6°120.0°
C5C6C9118.2°119.9°
C5C6C7122.2°120.0°
C10C9C6120.8°120.1°
C9C10H7120.0°120.0°
C10C9H32119.6°120.0°
C9C6C7119.6°120.1°
C6C9H32119.6°119.9°
C6C7C8113.7°109.5°
C6C7H2108.4°109.5°
C6C7H3108.4°109.5°
C24C21C22122.7°119.5°
C21C24C26111.4°109.5°
C21C24C25112.5°109.5°
C21C24H15107.3°109.4°
C21C22C23118.9°119.2°
C21C22H14120.5°120.4°
C23C22H14120.5°120.4°
C22C23H22120.3°120.8°
C8C7H2108.4°109.5°
C8C7H3108.4°109.4°
C7C8H4109.5°109.5°
C7C8H5109.5°109.5°
C7C8H6109.5°109.5°
C26C24C25110.7°109.5°
C26C24H15107.4°109.5°
C24C26H16109.5°109.4°
C24C26H17109.5°109.5°
C24C26H18109.4°109.5°
C25C24H15107.4°109.5°
C24C25H23109.5°109.5°
C24C25H24109.5°109.5°
C24C25H25109.5°109.5°
H2C7H3109.5°109.4°
H4C8H5109.4°109.5°
H4C8H6109.5°109.5°
H5C8H6109.5°109.4°
H8C13H9109.5°109.5°
H8C13H10109.5°109.4°
H9C13H10109.4°109.5°
H16C26H17109.4°109.5°
H16C26H18109.5°109.4°
H17C26H18109.5°109.5°
H23C25H24109.5°109.5°
H23C25H25109.5°109.5°
H24C25H25109.5°109.5°
H26C1H27109.5°109.5°
H28CH29109.5°109.4°
H28CH30109.5°109.5°
H29CH30109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C16C17H21180.0°179.4°
N2C16C17C180.2°0.8°
C16N2C15C141.0°0.0°
C16N2C15H11179.0°179.7°
N2C16C17H12179.8°179.7°
C17C16N2C150.2°0.6°
C16C17C18H12180.0°179.5°
C16C17C18C141.0°0.5°
C16C17C18H20179.0°179.4°
N2C15C14H11180.0°179.7°
N2C15C14C182.2°0.3°
N2C15C14C3166.7°179.7°
C15N2C16H21179.8°180.0°
C17C18C14C152.1°0.0°
C17C18C14H20180.0°179.9°
C17C18C14C3166.9°180.0°
C18C17C16H21179.8°179.8°
C15C14C18C3169.0°180.0°
C15C14C3N63.0°55.8°
C15C14C3C476.6°64.2°
C15C14C3H19174.5°175.7°
C15C14C18H20177.9°180.0°
C18C14C3N128.6°124.2°
C18C14C3C491.9°115.8°
C18C14C15H11177.8°180.0°
C14C18C17H12178.9°180.0°
C18C14C3H1917.0°4.3°
C14C3C4O165.9°120.0°
C14C3NC238.3°175.8°
C14C3NC4136.6°120.0°
C14C3NH19111.4°120.0°
C14C3C4H19109.0°120.1°
C14C3NC19142.3°4.2°
C14C3C4N1106.6°60.1°
C3C14C15H1113.3°0.0°
C3C14C18H2013.1°0.0°
CC1C2O44.1°5.7°
CC1C2H26120.3°120.0°
CC1C2H27120.4°120.0°
CC1C2N133.2°174.4°
CC1H26H27118.8°120.0°
C1CH28H29120.0°120.0°
C1CH28H30120.0°120.0°
C1CH29H30120.0°120.0°
OC2C1N177.3°179.9°
OC2NC311.5°3.2°
OC2NC19167.8°176.9°
OC2C1H2676.2°125.7°
OC2C1H27164.5°114.3°
O1C4C3N72.9°0.0°
O1C4C3N1172.5°179.9°
O1C4N1C56.6°3.7°
O1C4N1H1173.4°176.6°
O1C4C3H19174.9°119.9°
C1C2NC3165.8°176.8°
C1C2NC1914.9°3.1°
C2C1H26H27118.9°120.0°
C2C1CH28180.0°60.0°
C2C1CH2960.0°180.0°
C2C1CH3060.0°60.0°
C2NC3C19179.4°179.9°
C2NC3C4174.9°64.2°
C2NC19C2097.1°113.1°
C2NC19C2382.0°66.8°
C2NC3H1973.1°55.8°
NC2C1H26106.5°54.3°
NC2C1H2712.8°65.7°
NC3C4H19112.2°119.9°
C3NC19C2083.5°67.0°
NC3C4N1114.6°179.9°
C3NC19C2397.4°113.1°
C4C3NC195.7°115.8°
C3C4N1C5165.6°176.4°
C3C4N1H114.4°3.3°
N3C20C19H13180.0°180.0°
N3C20C19N179.8°180.0°
N3C20C19C231.1°0.1°
C20N3C21C24178.4°180.0°
C20N3C21C220.1°0.0°
C20C19NC23179.1°179.9°
C19C20N3C211.1°0.0°
C20C19C23C220.0°0.1°
C20C19C23H22179.9°180.0°
NC19C23C22179.1°180.0°
NC19C20H130.2°0.0°
C19NC3H19106.3°124.2°
NC19C23H220.8°0.1°
C4N1C5C12101.0°55.8°
C4N1C5H1180.0°179.7°
C4N1C5C677.7°124.0°
N1C4C3H192.4°60.0°
C13C12C11C5176.9°179.9°
C13C12C11C10174.9°180.0°
C13C12C5N15.7°0.1°
C13C12C5C6175.6°179.7°
C12C13H8H9120.0°120.0°
C12C13H8H10120.0°120.0°
C12C13H9H10120.0°119.9°
C13C12C11H315.1°0.1°
N3C21C24C22178.3°180.0°
N3C21C22C230.8°0.0°
N3C21C24C2696.0°95.0°
N3C21C24C25139.0°145.0°
C21N3C20H13178.9°180.0°
N3C21C22H14179.1°179.9°
N3C21C24H1521.2°25.0°
C19C23C22C210.9°0.1°
C19C23C22H22180.0°179.9°
C23C19C20H13178.9°179.9°
C19C23C22H14179.1°180.0°
C12C11C10H31180.0°179.9°
C11C12C5N1177.4°180.0°
C11C12C5C61.2°0.2°
C12C11C10C91.5°0.3°
C12C11C10H7178.5°180.0°
C11C12C13H891.5°81.6°
C11C12C13H9148.4°158.4°
C11C12C13H1028.5°38.4°
C5C12C11C102.0°0.1°
C12C5N1C6178.7°179.8°
C12C5C6C90.0°0.2°
C12C5C6C7179.1°179.7°
C12C5N1H179.0°123.9°
C5C12C13H891.7°98.3°
C5C12C13H928.3°21.7°
C5C12C13H10148.3°141.7°
C5C12C11H31178.0°180.0°
C11C10C9H7180.0°179.7°
C11C10C9C60.2°0.3°
C11C10C9H32179.8°179.7°
N1C5C6C9178.6°180.0°
N1C5C6C72.2°0.1°
C5C6C9C100.5°0.0°
C5C6C9C7179.2°180.0°
C5C6C7C873.7°85.0°
C6C5N1H1102.3°56.4°
C5C6C7H247.0°155.0°
C5C6C7H3165.7°35.0°
C5C6C9H32179.5°180.0°
C10C9C6H32180.0°180.0°
C10C9C6C7179.7°180.0°
C9C10C11H31178.5°179.7°
C9C6C7C8105.5°95.0°
C9C6C7H2133.9°25.0°
C9C6C7H315.1°145.0°
C6C9C10H7179.8°180.0°
C6C7C8H2120.6°120.0°
C6C7C8H3120.6°120.0°
C6C7H2H3118.0°120.0°
C6C7C8H4180.0°60.0°
C6C7C8H560.0°60.0°
C6C7C8H660.0°180.0°
C7C6C9H320.3°0.0°
C24C21C22C23177.3°180.0°
C21C24C26C25125.9°120.1°
C21C24C26H15117.2°119.9°
C21C24C25H15117.7°120.0°
C24C21C22H142.7°0.1°
C21C24C26H16180.0°60.0°
C21C24C26H1760.0°180.0°
C21C24C26H1860.0°59.9°
C21C24C25H23180.0°60.0°
C21C24C25H2460.0°60.0°
C21C24C25H2560.0°180.0°
C21C22C23H14180.0°179.9°
C22C21C24C2682.2°85.0°
C22C21C24C2542.7°35.0°
C22C21C24H15160.5°155.0°
C21C22C23H22179.2°180.0°
C8C7H2H3118.1°119.9°
C7C8H4H5120.0°120.0°
C7C8H4H6120.0°120.1°
C7C8H5H6120.0°120.0°
C26C24C25H15116.9°120.0°
C24C26H16H17120.0°120.0°
C24C26H16H18120.0°120.0°
C24C26H17H18120.0°120.1°
C26C24C25H2354.7°60.0°
C26C24C25H2465.3°180.0°
C26C24C25H25174.6°60.0°
C25C24C26H1654.1°60.0°
C25C24C26H17174.1°59.9°
C25C24C26H1865.9°180.0°
C24C25H23H24120.0°120.0°
C24C25H23H25120.0°120.0°
C24C25H24H25120.0°120.0°
H2C7C8H459.4°180.0°
H2C7C8H5179.4°60.0°
H2C7C8H660.7°59.9°
H3C7C8H459.4°60.1°
H3C7C8H560.6°180.0°
H3C7C8H6179.4°60.0°
H4C8H5H6120.0°120.0°
H7C10C11H311.5°0.0°
H7C10C9H320.2°0.0°
H8C13H9H10120.0°120.0°
H12C17C18H201.1°0.0°
H12C17C16H210.2°0.3°
H14C22C23H220.9°0.1°
H15C24C26H1662.8°180.0°
H15C24C26H1757.2°60.1°
H15C24C26H18177.2°60.0°
H15C24C25H2362.3°180.0°
H15C24C25H24177.7°60.0°
H15C24C25H2557.7°60.0°
H16C26H17H18120.0°120.0°
H23C25H24H25120.0°120.0°
H26C1CH2859.6°60.0°
H26C1CH2960.3°59.9°
H26C1CH30179.7°180.0°
H27C1CH2859.6°180.0°
H27C1CH29179.6°60.0°
H27C1CH3060.4°60.0°
H28CH29H30120.0°120.0°

222926

PDB entries from 2024-07-24

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