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6UX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F1C1sing1.40Å1.36Å
C1F2sing1.40Å1.38Å
C1F3sing1.40Å1.36Å
C1OHsing1.43Å1.43Å
OHCZsing1.36Å1.38Å
CZCE1doub1.39Å1.38ÅAromatic
CZCE2sing1.39Å1.39ÅAromatic
CE1CD1sing1.38Å1.37ÅAromatic
CD1CGdoub1.39Å1.39ÅAromatic
CGCD2sing1.39Å1.38ÅAromatic
CGN1sing1.40Å1.40Å
CD2CE2doub1.38Å1.38ÅAromatic
N1C8sing1.35Å1.39Å
C8Odoub1.22Å1.23Å
C8Nsing1.35Å1.39Å
NCAsing1.40Å1.49Å
CAC10doub1.39Å1.37ÅAromatic
CAC14sing1.39Å1.36ÅAromatic
C10C11sing1.38Å1.37ÅAromatic
C11C12doub1.39Å1.38ÅAromatic
C12C13sing1.39Å1.37ÅAromatic
C12N3sing1.40Å1.41Å
C13C14doub1.38Å1.37ÅAromatic
N3C15sing1.47Å1.47Å
N3C16sing1.39Å1.42Å
C16N4doub1.33Å1.34ÅAromatic
C16C19sing1.40Å1.39ÅAromatic
N4C17sing1.32Å1.33ÅAromatic
C17N5doub1.32Å1.34ÅAromatic
C17N6sing1.39Å1.41Å
N5C18sing1.33Å1.35ÅAromatic
C18C19doub1.38Å1.37ÅAromatic
N6C20sing1.40Å1.41Å
C20C21doub1.39Å1.37ÅAromatic
C20C25sing1.39Å1.38ÅAromatic
C21C22sing1.38Å1.38ÅAromatic
C22C23doub1.38Å1.38ÅAromatic
C22S1sing1.76Å1.81Å
C23C24sing1.38Å1.38ÅAromatic
C24C25doub1.38Å1.39ÅAromatic
S1O3doub1.42Å1.46Å
S1O4doub1.42Å1.46Å
S1N7sing1.66Å1.74Å
CE1H1sing1.08Å1.08Å
CD1H2sing1.08Å1.08Å
CD2H3sing1.08Å1.08Å
CE2H4sing1.08Å1.08Å
N1H5sing0.97Å1.00Å
NH6sing0.97Å1.00Å
C10H7sing1.08Å1.08Å
C11H8sing1.08Å1.08Å
C13H9sing1.08Å1.08Å
C14H10sing1.08Å1.08Å
C15H11sing1.09Å1.10Å
C15H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C18H14sing1.08Å1.08Å
C19H15sing1.08Å1.08Å
N6H16sing0.97Å1.00Å
C21H17sing1.08Å1.08Å
C23H18sing1.08Å1.08Å
C24H19sing1.08Å1.08Å
C25H20sing1.08Å1.08Å
N7H21sing0.97Å1.00Å
N7H22sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F1C1F2109.9°109.5°
F1C1F3106.0°109.5°
F1C1OH109.9°109.4°
F2C1F3109.0°109.5°
F2C1OH115.5°109.4°
F3C1OH106.1°109.5°
C1OHCZ115.1°117.0°
OHCZCE1117.0°120.0°
OHCZCE2121.1°120.0°
CE1CZCE2121.8°120.0°
CZCE1CD1118.2°120.0°
CZCE1H1120.9°120.0°
CZCE2CD2119.7°120.0°
CZCE2H4120.2°120.0°
CE1CD1CG120.9°120.0°
CD1CE1H1120.9°120.0°
CE1CD1H2119.5°120.0°
CD1CGCD2120.5°119.9°
CD1CGN1119.9°120.0°
CGCD1H2119.5°120.0°
CD2CGN1119.6°120.1°
CGCD2CE2118.9°120.0°
CGCD2H3120.5°120.0°
CGN1C8118.3°120.0°
CGN1H5120.8°120.0°
CE2CD2H3120.5°120.0°
CD2CE2H4120.2°120.0°
N1C8O123.4°119.9°
N1C8N116.9°120.0°
C8N1H5120.8°120.0°
OC8N119.6°120.0°
C8NCA118.0°120.0°
C8NH6121.0°120.0°
NCAC10125.9°120.0°
NCAC14113.0°119.9°
CANH6121.0°120.0°
C10CAC14121.0°120.0°
CAC10C11119.1°120.0°
CAC10H7120.5°120.0°
CAC14C13120.1°119.9°
CAC14H10119.9°120.0°
C10C11C12120.0°120.0°
C11C10H7120.4°120.0°
C10C11H8120.0°119.9°
C11C12C13119.8°120.0°
C11C12N3125.2°120.0°
C12C11H8120.0°120.0°
C13C12N3114.9°120.0°
C12C13C14119.9°120.0°
C12C13H9120.1°120.0°
C12N3C15112.8°120.0°
C12N3C16120.0°120.0°
C14C13H9120.0°120.0°
C13C14H10119.9°120.0°
C15N3C16114.1°120.0°
N3C15H11109.5°109.5°
N3C15H12109.5°109.5°
N3C15H13109.5°109.5°
N3C16N4118.3°120.5°
N3C16C19121.4°120.5°
N4C16C19120.3°119.0°
C16N4C17121.6°120.6°
C16C19C18115.0°118.5°
C16C19H15122.5°120.7°
N4C17N5121.3°121.7°
N4C17N6119.4°119.2°
N5C17N6119.3°119.2°
C17N5C18117.3°120.9°
C17N6C20130.5°120.0°
C17N6H16114.8°120.0°
N5C18C19124.5°119.2°
N5C18H14117.7°120.4°
C19C18H14117.8°120.4°
C18C19H15122.5°120.7°
N6C20C21124.1°120.1°
N6C20C25118.3°120.0°
C20N6H16114.7°120.0°
C21C20C25117.6°119.9°
C20C21C22119.8°119.9°
C20C21H17120.1°120.0°
C20C25C24122.8°119.9°
C20C25H20118.6°120.1°
C21C22C23122.6°120.1°
C21C22S1118.3°120.0°
C22C21H17120.1°120.0°
C23C22S1119.1°119.9°
C22C23C24117.9°120.1°
C22C23H18121.0°120.0°
C22S1O3108.8°106.4°
C22S1O4110.3°106.4°
C22S1N782.8°107.2°
C23C24C25119.3°120.1°
C24C23H18121.1°119.9°
C23C24H19120.4°119.9°
C25C24H19120.3°120.0°
C24C25H20118.6°120.0°
O3S1O4126.4°123.1°
O3S1N766.4°106.4°
O4S1N783.8°106.4°
S1N7H21109.5°120.0°
S1N7H22109.5°120.0°
H11C15H12109.4°109.5°
H11C15H13109.4°109.5°
H12C15H13109.5°109.4°
H21N7H22109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F1C1F2F3115.8°120.0°
F1C1F2OH125.0°119.9°
F1C1F3OH116.8°120.0°
F1C1OHCZ103.8°59.9°
F2C1F3OH124.9°120.0°
F2C1OHCZ21.2°60.0°
F3C1OHCZ142.0°180.0°
C1OHCZCE1108.2°180.0°
C1OHCZCE276.6°0.2°
OHCZCE1CE2175.1°179.8°
OHCZCE1CD1176.2°179.9°
OHCZCE2CD2177.2°179.7°
OHCZCE1H13.8°0.0°
OHCZCE2H42.8°0.0°
CZCE1CD1H1180.0°179.9°
CZCE1CD1CG0.1°0.0°
CE1CZCE2CD22.2°0.5°
CZCE1CD1H2179.9°180.0°
CE1CZCE2H4177.7°179.8°
CE2CZCE1CD11.1°0.3°
CZCE2CD2CG2.4°0.5°
CZCE2CD2H4180.0°179.7°
CE2CZCE1H1178.9°179.8°
CZCE2CD2H3177.6°179.7°
CE1CD1CGH2180.0°179.9°
CE1CD1CGCD20.4°0.0°
CE1CD1CGN1179.7°180.0°
CD1CGCD2N1179.3°180.0°
CD1CGCD2CE21.5°0.3°
CD1CGN1C833.5°35.4°
CGCD1CE1H1179.9°180.0°
CD1CGCD2H3178.5°180.0°
CD1CGN1H5146.5°144.6°
CGCD2CE2H3180.0°179.8°
CD2CGN1C8145.8°144.6°
CD2CGCD1H2179.6°180.0°
CGCD2CE2H4177.5°179.8°
CD2CGN1H534.2°35.4°
N1CGCD2CE2179.1°179.8°
CGN1C8H5180.0°180.0°
CGN1C8O1.0°4.8°
CGN1C8N176.5°175.2°
N1CGCD1H20.3°0.1°
N1CGCD2H30.8°0.0°
N1C8ON175.4°180.0°
N1C8NCA177.3°175.2°
N1C8NH62.7°4.8°
OC8NCA7.0°4.7°
OC8N1H5179.0°175.2°
OC8NH6172.9°175.2°
C8NCAH6180.0°179.9°
C8NCAC1051.1°144.7°
C8NCAC14127.8°35.5°
NC8N1H53.5°4.7°
NCAC10C14178.8°179.7°
NCAC10C11179.8°180.0°
NCAC14C13179.8°179.7°
NCAC10H70.2°0.1°
NCAC14H100.2°0.0°
CAC10C11H7180.0°179.9°
CAC10C11C120.4°0.1°
C10CAC14C131.3°0.6°
C10CANH6128.8°35.3°
CAC10C11H8179.6°180.0°
C10CAC14H10178.7°179.7°
C14CAC10C111.0°0.3°
CAC14C13C120.1°0.6°
CAC14C13H10180.0°179.7°
C14CANH652.3°144.4°
C14CAC10H7179.0°179.8°
CAC14C13H9179.9°179.7°
C10C11C12H8180.0°180.0°
C10C11C12C131.5°0.1°
C10C11C12N3178.4°180.0°
C11C12C13N3177.2°179.9°
C11C12C13C141.2°0.3°
C11C12N3C1549.3°4.3°
C11C12N3C1689.7°175.7°
C12C11C10H7179.6°179.9°
C11C12C13H9178.8°180.0°
C12C13C14H9180.0°179.7°
C13C12N3C15133.7°175.7°
C13C12N3C1687.4°4.2°
C13C12C11H8178.5°180.0°
C12C13C14H10179.9°179.7°
N3C12C13C14178.4°179.7°
C12N3C15C16141.5°180.0°
C12N3C16N4151.8°94.8°
C12N3C16C1927.5°85.4°
N3C12C11H81.6°0.0°
N3C12C13H91.6°0.0°
C12N3C15H11180.0°90.0°
C12N3C15H1260.0°150.0°
C12N3C15H1360.0°30.0°
C15N3C16N413.4°85.2°
C15N3C16C19165.9°94.6°
N3C15H11H12120.0°120.0°
N3C15H11H13120.0°120.1°
N3C15H12H13120.0°120.0°
N3C16N4C19179.3°179.8°
N3C16N4C17179.8°180.0°
N3C16C19C18178.7°179.8°
C16N3C15H1138.5°90.0°
C16N3C15H1281.5°30.0°
C16N3C15H13158.5°150.0°
N3C16C19H151.3°0.0°
C16N4C17N51.0°0.1°
C16N4C17N6179.9°180.0°
N4C16C19C180.6°0.5°
N4C16C19H15179.4°179.8°
C19C16N4C170.4°0.3°
C16C19C18N51.0°0.5°
C16C19C18H15180.0°179.7°
C16C19C18H14179.0°179.7°
N4C17N5N6179.0°180.0°
N4C17N5C180.6°0.1°
N4C17N6C2011.7°179.3°
N4C17N6H16168.3°0.6°
C17N5C18C190.5°0.3°
N5C17N6C20169.2°0.6°
C17N5C18H14179.5°179.9°
N5C17N6H1610.7°179.4°
N6C17N5C18179.6°179.9°
C17N6C20H16180.0°180.0°
C17N6C20C2124.4°144.6°
C17N6C20C25156.3°35.7°
N5C18C19H14180.0°179.8°
N5C18C19H15178.9°179.8°
N6C20C21C25179.4°179.7°
N6C20C21C22179.9°180.0°
N6C20C25C24179.1°179.7°
N6C20C21H170.1°0.1°
N6C20C25H200.9°0.0°
C20C21C22H17180.0°179.9°
C20C21C22C230.3°0.0°
C20C21C22S1179.2°180.0°
C21C20C25C241.4°0.6°
C21C20N6H16155.6°35.4°
C21C20C25H20178.6°179.7°
C25C20C21C220.5°0.3°
C20C25C24C231.4°0.6°
C20C25C24H20180.0°179.7°
C25C20N6H1623.7°144.2°
C25C20C21H17179.5°179.8°
C20C25C24H19178.5°179.7°
C21C22C23S1178.9°180.0°
C21C22C23C240.3°0.1°
C21C22S1O318.8°156.4°
C21C22S1O4161.4°23.6°
C21C22S1N780.8°90.0°
C21C22C23H18179.7°179.9°
C22C23C24H18180.0°179.9°
C22C23C24C250.5°0.4°
C23C22S1O3162.3°23.6°
C23C22S1O419.7°156.4°
C23C22S1N7100.3°90.0°
C23C22C21H17179.7°179.9°
C22C23C24H19179.5°179.9°
S1C22C23C24179.2°180.0°
C22S1O3O4135.0°122.9°
C22S1O3N773.0°114.1°
C22S1O4N779.9°114.1°
S1C22C21H170.8°0.1°
S1C22C23H180.8°0.1°
C22S1N7H21180.0°150.0°
C22S1N7H2260.0°30.0°
C23C24C25H19180.0°179.7°
C23C24C25H20178.6°179.7°
C25C24C23H18179.5°179.7°
O3S1O4N754.4°123.0°
O3S1N7H2165.8°36.4°
O3S1N7H22174.2°143.6°
O4S1N7H2168.5°96.5°
O4S1N7H2251.5°83.5°
S1N7H21H22120.0°180.0°
H1CE1CD1H20.1°0.1°
H3CD2CE2H42.4°0.1°
H7C10C11H80.4°0.1°
H9C13C14H100.1°0.0°
H11C15H12H13120.0°120.0°
H14C18C19H151.1°0.0°
H18C23C24H190.5°0.1°
H19C24C25H201.5°0.0°

224931

PDB entries from 2024-09-11

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