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SummaryGeometryRelated PDB entries

W45

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CL1C18sing1.74Å1.71Å
CL2C16sing1.74Å1.70Å
C18C16doub1.39Å1.40ÅAromatic
C18C20sing1.38Å1.37ÅAromatic
C16C15sing1.38Å1.38ÅAromatic
C03S04sing1.81Å1.80Å
C03C02sing1.51Å1.51Å
C20C21doub1.39Å1.40ÅAromatic
O01C02doub1.21Å1.22Å
C15C14doub1.40Å1.39ÅAromatic
C02N05sing1.35Å1.39Å
C21C14sing1.41Å1.42ÅAromatic
C21N11sing1.38Å1.38ÅAromatic
C14C13sing1.47Å1.43ÅAromatic
N05C06sing1.47Å1.46Å
C07C08sing1.53Å1.51Å
C07C06sing1.53Å1.55Å
C08C09sing1.53Å1.54Å
C09C10sing1.53Å1.53Å
N11C10sing1.47Å1.45Å
N11C12sing1.37Å1.41ÅAromatic
C13C12doub1.34Å1.38ÅAromatic
C03H1sing1.09Å1.10Å
C03H2sing1.09Å1.10Å
C06H3sing1.09Å1.10Å
C06H4sing1.09Å1.10Å
C07H5sing1.09Å1.10Å
C07H6sing1.09Å1.10Å
C08H7sing1.09Å1.10Å
C08H8sing1.09Å1.10Å
C09H9sing1.09Å1.10Å
C09H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C12H13sing1.08Å1.08Å
C13H14sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C20H16sing1.08Å1.08Å
N05H17sing0.97Å1.00Å
S04H18sing1.34Å1.30Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
CL1C18C16119.3°119.6°
CL1C18C20118.4°119.7°
CL2C16C18119.2°119.9°
CL2C16C15118.9°119.9°
C16C18C20122.3°120.7°
C18C16C15121.9°120.3°
C18C20C21116.6°119.9°
C18C20H16121.7°120.0°
C16C15C14117.2°119.7°
C16C15H15121.4°120.1°
S04C03C02109.0°109.5°
S04C03H1109.6°109.6°
S04C03H2109.6°109.5°
C03S04H18102.0°103.0°
C03C02O01122.9°120.0°
C03C02N05116.4°120.0°
C02C03H1109.6°109.5°
C02C03H2109.6°109.4°
C20C21C14121.6°119.4°
C20C21N11130.5°133.4°
C21C20H16121.7°120.0°
O01C02N05120.7°120.0°
C15C14C21120.6°120.0°
C15C14C13132.0°134.0°
C14C15H15121.4°120.2°
C02N05C06121.7°120.0°
C02N05H17119.2°120.0°
C14C21N11107.9°107.1°
C21C14C13107.4°106.0°
C21N11C10127.7°125.0°
C21N11C12108.4°109.9°
C14C13C12107.3°107.0°
C14C13H14126.4°126.5°
N05C06C07108.4°109.5°
N05C06H3109.8°109.5°
N05C06H4109.7°109.5°
C06N05H17119.2°120.0°
C08C07C06115.0°109.5°
C07C08C09113.8°109.5°
C08C07H5108.1°109.5°
C08C07H6108.0°109.4°
C07C08H7108.4°109.4°
C07C08H8108.4°109.5°
C07C06H3109.7°109.4°
C07C06H4109.8°109.5°
C06C07H5108.0°109.5°
C06C07H6108.1°109.5°
C08C09C10112.9°109.5°
C09C08H7108.4°109.5°
C09C08H8108.4°109.5°
C08C09H9108.6°109.5°
C08C09H10108.6°109.5°
C09C10N11112.3°109.5°
C10C09H9108.6°109.5°
C10C09H10108.6°109.4°
C09C10H11108.8°109.5°
C09C10H12108.7°109.4°
C10N11C12123.9°125.1°
N11C10H11108.8°109.5°
N11C10H12108.8°109.4°
N11C12C13109.0°109.9°
N11C12H13125.5°125.0°
C13C12H13125.5°125.1°
C12C13H14126.3°126.5°
H1C03H2109.4°109.4°
H3C06H4109.5°109.5°
H5C07H6109.5°109.4°
H7C08H8109.5°109.5°
H9C09H10109.5°109.4°
H11C10H12109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
CL1C18C16CL20.1°0.0°
CL1C18C16C20179.9°180.0°
CL1C18C16C15179.9°180.0°
CL1C18C20C21180.0°180.0°
CL1C18C20H160.1°0.1°
CL2C16C18C15179.8°180.0°
CL2C16C18C20179.9°180.0°
CL2C16C15C14179.9°180.0°
CL2C16C15H150.1°0.0°
C16C18C20C210.1°0.0°
C18C16C15C140.1°0.0°
C18C16C15H15179.9°180.0°
C16C18C20H16179.9°180.0°
C20C18C16C150.1°0.1°
C18C20C21H16180.0°179.9°
C18C20C21C140.1°0.0°
C18C20C21N11179.6°179.7°
C16C15C14H15180.0°180.0°
C16C15C14C210.1°0.0°
C16C15C14C13179.7°180.0°
S04C03C02H1119.9°120.1°
S04C03C02H2119.9°120.0°
S04C03C02O0157.6°0.3°
S04C03C02N05121.7°180.0°
S04C03H1H2120.2°120.0°
C03C02O01N05179.3°179.7°
C03C02N05C06179.3°180.0°
C02C03H1H2120.2°119.9°
C03C02N05H170.7°0.0°
C02C03S04H18180.0°180.0°
C20C21C14C150.1°0.0°
C20C21C14N11179.8°179.8°
C20C21C14C13179.8°180.0°
C20C21N11C100.8°0.1°
C20C21N11C12180.0°179.8°
O01C02N05C061.4°0.3°
O01C02C03H162.3°119.8°
O01C02C03H2177.6°120.3°
O01C02N05H17178.7°179.7°
C15C14C21C13179.9°180.0°
C15C14C21N11179.7°179.8°
C15C14C13C12179.7°180.0°
C15C14C13H140.3°0.0°
C02N05C06H17180.0°180.0°
C02N05C06C07121.4°180.0°
N05C02C03H1118.3°60.0°
N05C02C03H21.8°60.0°
C02N05C06H3118.7°60.1°
C02N05C06H41.6°60.0°
C14C21N11C10179.5°179.7°
C14C21N11C120.3°0.4°
C21C14C13C120.4°0.0°
C21C14C13H14179.6°180.0°
C21C14C15H15179.9°180.0°
C14C21C20H16179.9°179.9°
N11C21C14C130.4°0.2°
C21N11C10C0981.3°85.0°
C21N11C10C12179.1°179.9°
C21N11C12C130.0°0.4°
C21N11C10H1139.1°35.0°
C21N11C10H12158.3°155.1°
C21N11C12H13180.0°179.9°
N11C21C20H160.4°0.4°
C14C13C12N110.2°0.3°
C14C13C12H14180.0°180.0°
C14C13C12H13179.7°180.0°
C13C14C15H150.3°0.0°
N05C06C07C08156.0°180.0°
N05C06C07H3119.8°120.0°
N05C06C07H4119.8°120.0°
N05C06H3H4120.5°120.0°
N05C06C07H583.1°60.0°
N05C06C07H635.3°60.0°
C08C07C06H5120.8°120.0°
C08C07C06H6120.8°120.0°
C07C08C09H7120.7°120.0°
C07C08C09H8120.6°120.0°
C07C08C09C10155.3°180.0°
C08C07C06H384.1°60.0°
C08C07C06H436.2°60.0°
C08C07H5H6117.5°119.9°
C07C08H7H8118.0°120.0°
C07C08C09H984.2°60.0°
C07C08C09H1034.8°60.0°
C06C07C08C09163.6°180.0°
C07C06H3H4120.5°120.0°
C06C07H5H6117.5°120.0°
C06C07C08H742.9°60.0°
C06C07C08H875.8°60.0°
C07C06N05H1758.5°0.0°
C08C09C10H9120.5°120.1°
C08C09C10H10120.5°120.0°
C08C09C10N1133.9°180.0°
C09C08C07H542.8°60.0°
C09C08C07H675.6°60.0°
C09C08H7H8118.0°120.0°
C08C09H9H10118.4°120.0°
C08C09C10H11154.3°60.0°
C08C09C10H1286.6°60.0°
C09C10N11H11120.4°120.0°
C09C10N11H12120.4°119.9°
C09C10N11C1297.7°95.1°
C10C09C08H734.6°60.0°
C10C09C08H884.1°60.0°
C10C09H9H10118.5°119.9°
C09C10H11H12118.7°120.0°
C10N11C12C13179.2°179.6°
N11C10C09H986.6°59.9°
N11C10C09H10154.4°60.0°
N11C10H11H12118.7°120.0°
C10N11C12H130.8°0.0°
N11C12C13H13180.0°179.7°
C12N11C10H11141.8°144.9°
C12N11C10H1222.7°24.9°
N11C12C13H14179.8°179.7°
H1C03S04H1860.0°60.0°
H2C03S04H1860.1°60.1°
H3C06C07H536.7°60.0°
H3C06C07H6155.1°180.0°
H3C06N05H1761.3°120.0°
H4C06C07H5157.0°NaN°
H4C06C07H684.6°60.0°
H4C06N05H17178.4°120.0°
H5C07C08H777.9°180.0°
H5C07C08H8163.4°60.0°
H6C07C08H7163.7°60.0°
H6C07C08H845.0°180.0°
H7C08C09H9155.2°180.0°
H7C08C09H1085.9°60.0°
H8C08C09H936.5°60.0°
H8C08C09H10155.4°180.0°
H9C09C10H1133.8°180.0°
H9C09C10H12152.9°60.0°
H10C09C10H1185.2°60.0°
H10C09C10H1234.0°179.9°
H13C12C13H140.3°0.0°

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PDB entries from 2024-07-17

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