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SummaryGeometryRelated PDB entries

IXR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C18S19sing1.76Å1.60ÅAromatic
C18C17doub1.33Å1.42ÅAromatic
S19C15sing1.71Å1.64ÅAromatic
C17N16sing1.32Å1.47ÅAromatic
C25C26doub1.38Å1.38ÅAromatic
C25C24sing1.38Å1.39ÅAromatic
O20C13doub1.21Å1.19Å
O01C02doub1.21Å1.18Å
C15N16doub1.30Å1.39ÅAromatic
C15N14sing1.39Å1.44Å
C26C21sing1.38Å1.40ÅAromatic
C24C23doub1.38Å1.39ÅAromatic
C04C03doub1.39Å1.41ÅAromatic
C04C05sing1.39Å1.39ÅAromatic
C13N14sing1.35Å1.44Å
C13C12sing1.51Å1.54Å
C02C03sing1.48Å1.54Å
C02N11sing1.35Å1.47Å
C03C08sing1.41Å1.39ÅAromatic
C05C06doub1.38Å1.41ÅAromatic
C21C12sing1.51Å1.53Å
C21C22doub1.38Å1.39ÅAromatic
C23C22sing1.38Å1.39ÅAromatic
N11C12sing1.46Å1.47Å
N11C09sing1.35Å1.45Å
C08C09sing1.48Å1.56Å
C08C07doub1.39Å1.41ÅAromatic
C06C07sing1.39Å1.40ÅAromatic
C09O10doub1.22Å1.19Å
C17H1sing1.08Å1.08Å
C22H2sing1.08Å1.08Å
C24H3sing1.08Å1.08Å
C26H4sing1.08Å1.08Å
C04H5sing1.08Å1.08Å
C05H6sing1.08Å1.08Å
C06H7sing1.08Å1.08Å
C07H8sing1.08Å1.08Å
C12H9sing1.09Å1.10Å
C18H10sing1.08Å1.08Å
C23H11sing1.08Å1.08Å
C25H12sing1.08Å1.08Å
N14H13sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
S19C18C17109.9°108.1°
C18S19C1598.2°90.3°
S19C18H10125.0°126.0°
C18C17N16111.2°114.5°
C18C17H1124.4°122.7°
C17C18H10125.0°126.0°
S19C15N16111.1°110.1°
S19C15N14125.4°124.9°
C17N16C15109.6°117.0°
N16C17H1124.4°122.8°
C26C25C24119.1°120.0°
C25C26C21120.5°120.0°
C25C26H4119.7°120.0°
C26C25H12120.5°120.0°
C25C24C23120.5°120.0°
C25C24H3119.7°120.0°
C24C25H12120.4°120.1°
O20C13N14118.8°120.0°
O20C13C12123.0°120.0°
O01C02C03122.9°125.8°
O01C02N11128.7°125.6°
N16C15N14123.4°125.0°
C15N14C13119.7°120.0°
C15N14H13120.1°119.9°
C26C21C12119.8°120.0°
C26C21C22120.3°120.0°
C21C26H4119.8°120.0°
C24C23C22120.6°120.0°
C23C24H3119.7°120.0°
C24C23H11119.7°120.0°
C03C04C05119.6°119.7°
C04C03C02130.8°134.3°
C04C03C08120.9°119.8°
C03C04H5120.2°120.1°
C04C05C06119.9°120.4°
C05C04H5120.2°120.1°
C04C05H6120.0°119.8°
N14C13C12118.2°120.0°
C13N14H13120.2°120.1°
C13C12C21107.8°109.5°
C13C12N11111.6°109.5°
C13C12H9108.2°109.5°
C03C02N11108.4°108.6°
C02C03C08108.3°105.9°
C02N11C12131.4°124.5°
C02N11C09107.2°111.0°
C03C08C09107.7°105.9°
C03C08C07119.3°119.9°
C05C06C07120.0°120.5°
C06C05H6120.0°119.8°
C05C06H7120.0°119.8°
C12C21C22119.9°120.0°
C21C12N11111.8°109.5°
C21C12H9108.3°109.4°
C21C22C23119.0°120.0°
C21C22H2120.5°120.0°
C23C22H2120.5°120.0°
C22C23H11119.7°120.0°
C12N11C09121.4°124.5°
N11C12H9109.1°109.5°
N11C09C08108.4°108.6°
N11C09O10122.9°125.7°
C09C08C07133.0°134.3°
C08C09O10128.7°125.7°
C08C07C06120.2°119.7°
C08C07H8119.9°120.2°
C07C06H7120.0°119.8°
C06C07H8119.9°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
S19C18C17H10180.0°179.8°
S19C18C17N160.3°0.4°
C18S19C15N160.3°0.0°
C18S19C15N14178.0°179.7°
S19C18C17H1179.6°179.9°
C17C18S19C150.0°0.2°
C18C17N16H1180.0°179.5°
C18C17N16C150.6°0.5°
S19C15N16C170.6°0.3°
S19C15N16N14177.7°179.7°
S19C15N14C1333.3°0.3°
C15S19C18H10180.0°180.0°
S19C15N14H13146.6°179.7°
C17N16C15N14178.3°180.0°
N16C17C18H10179.6°179.8°
C26C25C24H12180.0°180.0°
C25C26C21H4180.0°180.0°
C26C25C24C230.1°0.3°
C25C26C21C12179.3°180.0°
C25C26C21C220.2°0.3°
C26C25C24H3179.9°179.9°
C24C25C26C210.2°0.0°
C25C24C23H3180.0°179.8°
C25C24C23C220.5°0.3°
C24C25C26H4179.7°180.0°
C25C24C23H11179.5°179.9°
O20C13N14C151.6°0.3°
O20C13N14C12178.9°179.7°
O20C13C12C21111.1°120.3°
O20C13C12N1112.0°0.3°
O20C13C12H9132.0°119.8°
O20C13N14H13178.5°179.7°
O01C02C03C040.2°0.3°
O01C02C03N11179.9°179.7°
O01C02C03C08179.7°179.8°
O01C02N11C120.9°0.3°
O01C02N11C09179.6°179.8°
N16C15N14C13149.3°180.0°
C15N16C17H1179.4°180.0°
N16C15N14H1330.8°0.0°
C15N14C13H13180.0°180.0°
C15N14C13C12177.4°180.0°
C26C21C12C132.7°89.7°
C26C21C12C22179.4°179.7°
C26C21C22C230.3°0.3°
C26C21C12N11125.7°30.3°
C26C21C22H2179.7°179.7°
C26C21C12H9114.1°150.3°
C21C26C25H12179.8°180.0°
C24C23C22C210.6°0.0°
C24C23C22H11180.0°179.7°
C24C23C22H2179.4°180.0°
C23C24C25H12179.9°179.7°
C03C04C05H5180.0°180.0°
C04C03C02C08179.5°179.9°
C04C03C02N11179.7°180.0°
C03C04C05C060.0°0.1°
C04C03C08C09179.6°180.0°
C04C03C08C070.3°0.0°
C03C04C05H6180.0°180.0°
C05C04C03C02179.5°180.0°
C05C04C03C080.1°0.1°
C04C05C06H6180.0°179.9°
C04C05C06C070.1°0.0°
C04C05C06H7179.9°179.9°
N14C13C12C2167.8°60.0°
N14C13C12N11169.1°180.0°
N14C13C12H949.1°60.0°
C13C12N11C0297.9°47.9°
C13C12C21N11123.0°120.0°
C13C12C21H9116.8°120.0°
C13C12C21C22177.9°90.0°
C13C12N11H9119.5°120.0°
C13C12N11C0981.6°132.2°
C12C13N14H132.6°0.0°
C03C02N11C12179.2°180.0°
C03C02N11C090.3°0.1°
C02C03C08C090.1°0.0°
C02C03C08C07179.8°180.0°
C02C03C04H50.5°0.0°
N11C02C03C080.2°0.0°
C02N11C12C2123.0°72.1°
C02N11C12C09179.4°179.9°
C02N11C09C080.3°0.0°
C02N11C09O10179.6°180.0°
C02N11C12H9142.7°167.9°
C03C08C09N110.1°0.0°
C03C08C09C07179.8°180.0°
C03C08C07C060.3°0.0°
C03C08C09O10179.7°180.0°
C08C03C04H5179.9°179.9°
C03C08C07H8179.7°180.0°
C05C06C07C080.2°0.0°
C05C06C07H7180.0°180.0°
C06C05C04H5180.0°179.9°
C05C06C07H8179.8°179.9°
C12C21C22C23179.7°180.0°
C21C12N11H9119.7°120.0°
C21C12N11C09157.6°107.8°
C12C21C22H20.3°0.0°
C12C21C26H40.8°0.0°
C21C22C23H2180.0°180.0°
C22C21C12N1154.8°150.0°
C22C21C26H4179.8°179.7°
C22C21C12H965.3°30.0°
C21C22C23H11179.4°179.7°
C22C23C24H3179.5°180.0°
C12N11C09C08179.3°180.0°
C12N11C09O100.9°0.0°
N11C09C08O10179.8°180.0°
N11C09C08C07180.0°180.0°
C09N11C12H937.9°12.2°
C09C08C07C06179.5°180.0°
C09C08C07H80.5°0.1°
C08C07C06H8180.0°179.9°
C07C08C09O100.1°0.0°
C08C07C06H7179.7°180.0°
C07C06C05H6179.9°180.0°
H1C17C18H100.4°0.3°
H2C22C23H110.6°0.4°
H3C24C23H110.5°0.3°
H3C24C25H120.1°0.0°
H4C26C25H120.2°0.0°
H5C04C05H60.1°0.0°
H6C05C06H70.1°0.0°
H7C06C07H80.3°0.1°

224201

PDB entries from 2024-08-28

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