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SummaryGeometryRelated PDB entries

XUH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C21C20sing1.55Å1.59Å
C21C22sing1.55Å1.59Å
C20C19sing1.54Å1.36Å
C22C18sing1.54Å1.37Å
N17C16sing1.47Å1.45Å
N17C18sing1.47Å1.45Å
C16C15sing1.53Å1.54Å
C18C19sing1.54Å1.66Å
C14C15sing1.53Å1.53Å
C14N13sing1.47Å1.46Å
C15O23sing1.43Å1.40Å
N13C12sing1.38Å1.37ÅAromatic
N13C04sing1.38Å1.37ÅAromatic
C11C12doub1.39Å1.42ÅAromatic
C11C10sing1.38Å1.40ÅAromatic
C12C07sing1.40Å1.38ÅAromatic
C03C04doub1.39Å1.43ÅAromatic
C03C02sing1.38Å1.39ÅAromatic
C04C05sing1.40Å1.38ÅAromatic
C10C09doub1.39Å1.40ÅAromatic
C02C01doub1.39Å1.40ÅAromatic
C07C05sing1.47Å1.46ÅAromatic
C07C08doub1.39Å1.42ÅAromatic
C05C06doub1.39Å1.42ÅAromatic
C09C08sing1.38Å1.40ÅAromatic
C01C06sing1.38Å1.40ÅAromatic
C10H1sing1.08Å1.08Å
C14H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C16H4sing1.09Å1.10Å
C16H5sing1.09Å1.10Å
C18H6sing1.09Å1.10Å
C19H7sing1.09Å1.10Å
C19H8sing1.09Å1.10Å
C20H9sing1.09Å1.10Å
C20H10sing1.09Å1.10Å
C21H11sing1.09Å1.10Å
C21H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C22H14sing1.09Å1.10Å
C01H15sing1.08Å1.08Å
C02H16sing1.08Å1.08Å
C03H17sing1.08Å1.08Å
C06H18sing1.08Å1.08Å
C08H19sing1.08Å1.08Å
C09H20sing1.08Å1.08Å
C11H21sing1.08Å1.08Å
C15H22sing1.09Å1.10Å
N17H23sing1.01Å1.00Å
O23H25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C20C21C22105.8°102.7°
C21C20C19104.5°104.2°
C21C20H9110.7°110.5°
C21C20H10110.7°110.6°
C20C21H11110.4°110.8°
C20C21H12110.4°110.8°
C21C22C18105.8°104.2°
C22C21H11110.4°110.7°
C22C21H12110.4°110.7°
C21C22H13110.4°110.5°
C21C22H14110.4°110.4°
C20C19C18105.6°106.6°
C20C19H7110.4°110.0°
C20C19H8110.4°110.2°
C19C20H9110.7°110.5°
C19C20H10110.7°110.4°
C22C18N17111.4°110.1°
C22C18C19107.8°106.5°
C22C18H6111.5°110.1°
C18C22H13110.4°110.5°
C18C22H14110.4°110.5°
C16N17C18109.2°111.0°
N17C16C15112.0°109.5°
N17C16H4108.8°109.5°
N17C16H5108.8°109.5°
C16N17H23109.5°111.0°
N17C18C19108.3°110.0°
N17C18H6110.2°110.1°
C18N17H23109.5°111.0°
C16C15C14116.3°109.5°
C16C15O23107.1°109.5°
C15C16H4108.8°109.4°
C15C16H5108.8°109.4°
C16C15H22108.0°109.5°
C19C18H6107.6°110.0°
C18C19H7110.4°110.0°
C18C19H8110.4°110.0°
C15C14N13106.7°109.5°
C14C15O23107.3°109.5°
C15C14H2110.2°109.5°
C15C14H3110.1°109.4°
C14C15H22108.1°109.5°
C14N13C12124.4°124.8°
C14N13C04125.8°124.8°
N13C14H2110.2°109.5°
N13C14H3110.2°109.5°
O23C15H22109.9°109.4°
C15O23H25109.5°113.9°
C12N13C04109.8°110.3°
N13C12C11131.1°132.3°
N13C12C07108.7°108.4°
N13C04C03131.6°132.4°
N13C04C05108.8°108.4°
C12C11C10120.2°120.0°
C11C12C07120.2°119.3°
C12C11H21119.9°120.1°
C11C10C09119.7°120.6°
C11C10H1120.1°119.8°
C10C11H21119.9°119.9°
C12C07C05106.6°106.5°
C12C07C08119.5°120.1°
C04C03C02120.5°120.1°
C03C04C05119.6°119.3°
C04C03H17119.7°120.0°
C03C02C01119.9°120.6°
C03C02H16120.1°119.7°
C02C03H17119.7°120.0°
C04C05C07106.1°106.5°
C04C05C06119.8°120.1°
C10C09C08120.0°120.2°
C09C10H1120.1°119.7°
C10C09H20120.0°119.9°
C02C01C06119.9°120.2°
C02C01H15120.0°119.9°
C01C02H16120.0°119.7°
C05C07C08133.9°133.4°
C07C05C06134.0°133.5°
C07C08C09120.3°119.8°
C07C08H19119.9°120.1°
C05C06C01120.3°119.8°
C05C06H18119.8°120.1°
C09C08H19119.8°120.1°
C08C09H20120.0°119.9°
C06C01H15120.1°119.9°
C01C06H18119.9°120.1°
H2C14H3109.5°109.4°
H4C16H5109.5°109.5°
H7C19H8109.5°110.0°
H9C20H10109.5°110.4°
H11C21H12109.4°110.8°
H13C22H14109.4°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C20C21C22H11119.4°118.3°
C20C21C22H12119.5°118.3°
C21C20C19H9119.2°118.7°
C21C20C19H10119.2°118.8°
C20C21C22C185.4°38.0°
C21C20C19C1831.7°23.6°
C21C20C19H7151.1°95.7°
C21C20C19H887.7°142.9°
C21C20H9H10122.3°122.7°
C20C21H11H12121.7°123.4°
C20C21C22H13124.8°80.8°
C20C21C22H14114.1°156.6°
C22C21C20C1925.0°37.9°
C21C22C18H13119.4°118.7°
C21C22C18H14119.5°118.7°
C21C22C18N17105.8°142.9°
C21C22C18C1912.8°23.6°
C21C22C18H6130.7°95.6°
C22C21C20H994.2°156.6°
C22C21C20H10144.2°80.8°
C22C21H11H12121.7°123.3°
C21C22H13H14121.7°122.6°
C20C19C18C2230.4°0.0°
C20C19C18N1790.2°119.3°
C20C19C18H7119.4°119.3°
C20C19C18H8119.4°119.4°
C20C19C18H6150.8°119.2°
C20C19H7H8121.8°121.5°
C19C20H9H10122.3°122.5°
C19C20C21H1194.4°80.4°
C19C20C21H12144.5°156.2°
C22C18N17C1683.0°87.8°
C22C18N17C19118.4°117.1°
C22C18N17H6124.2°121.5°
C22C18C19H6120.4°119.3°
C22C18C19H7149.8°119.3°
C22C18C19H889.0°119.4°
C18C22C21H11114.0°80.4°
C18C22C21H12124.8°156.3°
C18C22H13H14121.7°122.6°
C22C18N17H23157.0°148.2°
C16N17C18H23120.0°123.9°
N17C16C15H4120.4°120.0°
N17C16C15H5120.4°120.0°
C16N17C18C19158.6°155.0°
N17C16C15C1453.4°175.0°
N17C16C15O23173.4°65.0°
N17C16H4H5118.8°120.0°
C16N17C18H641.2°33.7°
N17C16C15H2268.3°54.9°
C18N17C16C15108.8°180.0°
N17C18C19H6119.0°121.4°
C18N17C16H411.6°60.0°
C18N17C16H5130.8°60.0°
N17C18C19H729.2°121.4°
N17C18C19H8150.4°0.1°
N17C18C22H13134.7°24.2°
N17C18C22H1413.6°98.4°
C16C15C14O23119.9°120.0°
C16C15C14H22121.7°120.1°
C16C15C14N13147.3°175.0°
C16C15O23H22117.1°119.9°
C16C15C14H293.2°64.9°
C16C15C14H327.7°55.0°
C15C16H4H5118.8°119.9°
C15C16N17H2311.1°56.0°
C16C15O23H25180.0°60.0°
C18C19H7H8121.8°121.3°
C18C19C20H987.5°142.3°
C18C19C20H10150.9°95.2°
C19C18C22H13106.7°95.1°
C19C18C22H14132.2°142.3°
C19C18N17H2338.6°31.1°
C15C14N13H2119.6°120.0°
C15C14N13H3119.5°120.0°
C14C15O23H22117.3°120.0°
C15C14N13C12100.8°90.0°
C15C14N13C0477.7°89.9°
C15C14H2H3121.3°120.0°
C14C15C16H4173.8°55.0°
C14C15C16H567.0°65.0°
C14C15O23H2554.4°60.0°
N13C14C15O2392.9°65.0°
C14N13C12C04178.7°180.0°
C14N13C12C111.3°0.3°
C14N13C12C07179.1°180.0°
C14N13C04C031.1°0.1°
C14N13C04C05179.0°179.7°
N13C14H2H3121.3°120.0°
N13C14C15H2225.6°54.9°
O23C15C14H226.7°55.1°
O23C15C14H3147.6°175.0°
O23C15C16H466.3°175.0°
O23C15C16H553.0°55.0°
N13C12C11C07179.6°179.6°
N13C12C11C10179.9°179.6°
C12N13C04C03179.8°179.8°
C12N13C04C050.3°0.2°
N13C12C07C050.3°0.3°
N13C12C07C08179.8°180.0°
C12N13C14H2139.7°30.0°
C12N13C14H318.8°150.0°
N13C12C11H210.1°0.3°
C04N13C12C11180.0°179.7°
C04N13C12C070.4°0.0°
N13C04C03C05179.9°179.5°
N13C04C03C02179.8°179.5°
N13C04C05C070.1°0.4°
N13C04C05C06179.8°179.6°
C04N13C14H241.8°150.0°
C04N13C14H3162.7°30.0°
N13C04C03H170.2°0.4°
C12C11C10H21180.0°180.0°
C12C11C10C090.5°0.0°
C11C12C07C05179.9°180.0°
C11C12C07C080.1°0.3°
C12C11C10H1179.5°179.7°
C10C11C12C070.3°0.0°
C11C10C09H1180.0°179.7°
C11C10C09C080.5°0.3°
C11C10C09H20179.5°179.8°
C12C07C05C040.1°0.4°
C12C07C05C08179.9°179.7°
C12C07C05C06180.0°179.6°
C12C07C08C090.1°0.6°
C12C07C08H19179.9°180.0°
C07C12C11H21179.7°180.0°
C04C03C02H17180.0°179.9°
C04C03C02C010.1°0.0°
C03C04C05C07180.0°180.0°
C03C04C05C060.1°0.0°
C04C03C02H16179.9°179.9°
C02C03C04C050.1°0.0°
C03C02C01H16180.0°179.9°
C03C02C01C060.2°0.0°
C03C02C01H15179.8°180.0°
C04C05C07C06179.9°180.0°
C04C05C07C08180.0°179.9°
C04C05C06C010.1°0.0°
C05C04C03H17179.9°179.9°
C04C05C06H18179.8°180.0°
C10C09C08C070.3°0.6°
C10C09C08H20180.0°179.9°
C10C09C08H19179.7°180.0°
C09C10C11H21179.5°179.9°
C02C01C06C050.2°0.0°
C02C01C06H15180.0°179.9°
C01C02C03H17179.8°179.9°
C02C01C06H18179.8°179.9°
C05C07C08C09180.0°179.8°
C07C05C06C01180.0°180.0°
C07C05C06H180.1°0.0°
C05C07C08H190.0°0.4°
C08C07C05C060.1°0.1°
C07C08C09H19180.0°179.4°
C07C08C09H20179.7°179.5°
C05C06C01H18180.0°180.0°
C05C06C01H15179.8°180.0°
C08C09C10H1179.5°180.0°
C06C01C02H16179.8°180.0°
H1C10C09H200.5°0.1°
H1C10C11H210.5°0.3°
H2C14C15H22145.1°175.0°
H3C14C15H2294.0°65.1°
H4C16C15H2252.1°65.1°
H4C16N17H23131.5°176.0°
H5C16C15H22171.3°174.9°
H5C16N17H23109.2°63.9°
H6C18C19H789.8°0.0°
H6C18C19H831.4°121.3°
H6C18C22H1311.2°145.7°
H6C18C22H14109.9°23.1°
H6C18N17H2378.8°90.3°
H7C19C20H931.9°23.0°
H7C19C20H1089.7°145.5°
H8C19C20H9153.1°98.4°
H8C19C20H1031.5°24.1°
H9C20C21H11146.4°38.3°
H9C20C21H1225.3°85.1°
H10C20C21H1124.8°160.9°
H10C20C21H1296.4°37.5°
H11C21C22H135.4°160.9°
H11C21C22H14126.5°38.3°
H12C21C22H13115.7°37.6°
H12C21C22H145.4°85.0°
H15C01C02H160.2°0.1°
H15C01C06H180.2°0.0°
H16C02C03H170.1°0.0°
H19C08C09H200.3°0.1°
H22C15O23H2562.9°180.0°

224931

PDB entries from 2024-09-11

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