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SummaryGeometryRelated PDB entries

I0R

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C12C10sing1.51Å1.53Å
C10N08doub1.28Å1.33ÅAromatic
C10S09sing1.71Å1.62ÅAromatic
N08C04sing1.33Å1.35ÅAromatic
S09C03sing1.76Å1.66ÅAromatic
C04N05sing1.39Å1.33ÅAromatic
C04C03doub1.38Å1.34ÅAromatic
C15N05sing1.46Å1.49Å
N05C02sing1.37Å1.34ÅAromatic
C03C01sing1.46Å1.33ÅAromatic
C02C01doub1.40Å1.33ÅAromatic
C02C06sing1.41Å1.34Å
C01C13sing1.41Å1.33Å
C06O11doub1.22Å1.23Å
C06N07sing1.35Å1.34Å
C13N14doub1.30Å1.39Å
N07N14sing1.40Å1.34Å
N07C16sing1.46Å1.48Å
C18C19doub1.38Å1.39ÅAromatic
C18C17sing1.38Å1.39ÅAromatic
C16C17sing1.51Å1.39Å
C19C20sing1.39Å1.39ÅAromatic
C17C22doub1.38Å1.39ÅAromatic
C20O23sing1.36Å1.36Å
C20C21doub1.39Å1.39ÅAromatic
C22C21sing1.38Å1.39ÅAromatic
C12H1sing1.09Å1.10Å
C12H2sing1.09Å1.10Å
C12H3sing1.09Å1.10Å
C13H4sing1.08Å1.08Å
C15H5sing1.09Å1.10Å
C15H6sing1.09Å1.10Å
C15H7sing1.09Å1.10Å
C16H8sing1.09Å1.10Å
C16H9sing1.09Å1.10Å
C18H10sing1.08Å1.08Å
C19H11sing1.08Å1.08Å
C21H12sing1.08Å1.08Å
C22H13sing1.08Å1.08Å
O23H14sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C12C10N08124.7°124.5°
C12C10S09125.9°124.5°
C10C12H1109.5°109.4°
C10C12H2109.5°109.5°
C10C12H3109.4°109.4°
N08C10S09109.4°111.0°
C10N08C04114.0°117.9°
C10S09C0395.2°90.5°
N08C04N05139.9°139.8°
N08C04C03113.3°112.3°
S09C03C04108.0°108.3°
S09C03C01143.5°144.3°
N05C04C03106.8°107.9°
C04N05C15120.9°124.9°
C04N05C02109.2°110.2°
C04C03C01108.4°107.4°
C15N05C02129.9°124.9°
N05C15H5109.5°109.5°
N05C15H6109.5°109.5°
N05C15H7109.5°109.5°
N05C02C01107.3°108.1°
N05C02C06132.4°133.4°
C03C01C02108.3°106.4°
C03C01C13131.1°134.0°
C01C02C06120.3°118.5°
C02C01C13120.5°119.6°
C02C06O11121.2°120.4°
C02C06N07120.6°119.3°
C01C13N14119.5°120.2°
C01C13H4120.3°119.9°
O11C06N07118.2°120.3°
C06N07N14120.3°121.0°
C06N07C16119.7°119.5°
C13N14N07118.7°121.4°
N14C13H4120.2°119.9°
N14N07C16120.0°119.5°
N07C16C17106.3°109.5°
N07C16H8110.3°109.5°
N07C16H9110.3°109.5°
C19C18C17120.2°120.0°
C18C19C20119.8°119.9°
C19C18H10119.9°120.0°
C18C19H11120.1°120.0°
C18C17C16120.1°119.9°
C18C17C22119.9°120.1°
C17C18H10119.9°120.0°
C16C17C22119.9°120.0°
C17C16H8110.2°109.5°
C17C16H9110.3°109.5°
C19C20O23119.5°120.1°
C19C20C21120.3°119.9°
C20C19H11120.1°120.0°
C17C22C21120.0°120.1°
C17C22H13120.0°119.9°
O23C20C21120.2°120.0°
C20O23H14109.5°113.9°
C20C21C22119.8°119.9°
C20C21H12120.1°120.0°
C22C21H12120.1°120.0°
C21C22H13120.0°120.0°
H1C12H2109.4°109.4°
H1C12H3109.5°109.4°
H2C12H3109.5°109.5°
H5C15H6109.4°109.4°
H5C15H7109.5°109.4°
H6C15H7109.5°109.5°
H8C16H9109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C12C10N08S09179.9°179.6°
C12C10N08C04180.0°179.9°
C12C10S09C03180.0°180.0°
C10C12H1H2120.0°120.0°
C10C12H1H3120.0°119.9°
C10C12H2H3120.0°120.0°
N08C10S09C030.0°0.4°
C10N08C04N05180.0°180.0°
C10N08C04C030.1°0.1°
N08C10C12H10.0°90.0°
N08C10C12H2120.0°150.0°
N08C10C12H3120.0°29.9°
S09C10N08C040.1°0.3°
C10S09C03C040.1°0.3°
C10S09C03C01180.0°179.7°
S09C10C12H1179.9°90.4°
S09C10C12H259.9°29.6°
S09C10C12H360.1°149.7°
N08C04C03S090.1°0.2°
N08C04N05C03179.9°179.9°
N08C04N05C150.1°0.1°
N08C04N05C02179.9°180.0°
N08C04C03C01179.9°179.8°
S09C03C04N05179.9°179.8°
S09C03C04C01179.9°180.0°
S09C03C01C02179.9°179.7°
S09C03C01C130.1°0.1°
C04N05C15C02179.9°179.9°
N05C04C03C010.0°0.2°
C04N05C02C010.1°0.1°
C04N05C02C06180.0°179.9°
C04N05C15H5180.0°90.0°
C04N05C15H660.0°150.0°
C04N05C15H760.0°30.0°
C03C04N05C15180.0°180.0°
C03C04N05C020.0°0.1°
C04C03C01C020.0°0.3°
C04C03C01C13180.0°180.0°
C15N05C02C01180.0°179.8°
C15N05C02C060.1°0.2°
N05C15H5H6120.0°120.0°
N05C15H5H7120.0°120.0°
N05C15H6H7120.0°120.1°
N05C02C01C030.1°0.3°
N05C02C01C06179.9°180.0°
N05C02C01C13179.9°180.0°
N05C02C06O110.1°0.0°
N05C02C06N07179.7°180.0°
C02N05C15H50.1°90.1°
C02N05C15H6120.1°29.9°
C02N05C15H7119.9°149.9°
C03C01C02C13180.0°179.7°
C03C01C02C06180.0°179.8°
C03C01C13N14179.9°179.7°
C03C01C13H40.1°0.3°
C01C02C06O11180.0°179.9°
C01C02C06N070.3°0.0°
C02C01C13N140.1°0.1°
C02C01C13H4179.9°180.0°
C06C02C01C130.0°0.1°
C02C06O11N07179.7°180.0°
C02C06N07N140.9°0.0°
C02C06N07C16179.1°180.0°
C01C13N14H4180.0°180.0°
C01C13N14N070.6°0.0°
O11C06N07N14179.5°179.9°
O11C06N07C161.3°0.1°
C06N07N14C131.0°0.0°
C06N07N14C16178.2°180.0°
C06N07C16C1784.0°90.0°
C06N07C16H835.5°30.0°
C06N07C16H9156.5°150.0°
C13N14N07C16179.2°180.0°
N14N07C16C1794.2°90.0°
N07N14C13H4179.4°180.0°
N14N07C16H8146.3°150.0°
N14N07C16H925.3°30.0°
N07C16C17C1898.1°89.7°
N07C16C17H8119.5°120.0°
N07C16C17H9119.5°120.0°
N07C16C17C2280.1°90.0°
N07C16H8H9121.5°120.0°
C19C18C17H10180.0°180.0°
C19C18C17C16179.1°180.0°
C18C19C20H11180.0°180.0°
C19C18C17C220.9°0.3°
C18C19C20O23179.9°180.0°
C18C19C20C210.1°0.0°
C18C17C16C22178.2°179.7°
C17C18C19C200.5°0.0°
C18C17C22C210.8°0.5°
C18C17C16H821.4°30.3°
C18C17C16H9142.4°150.3°
C17C18C19H11179.5°180.0°
C18C17C22H13179.2°179.7°
C16C17C22C21179.1°179.8°
C17C16H8H9121.4°120.0°
C16C17C18H100.9°0.0°
C16C17C22H130.9°0.0°
C19C20O23C21179.8°179.9°
C19C20C21C220.1°0.2°
C20C19C18H10179.5°180.0°
C19C20C21H12179.9°179.9°
C19C20O23H14180.0°90.0°
C17C22C21C200.4°0.5°
C17C22C21H13180.0°179.8°
C22C17C16H8160.4°150.0°
C22C17C16H939.4°30.0°
C22C17C18H10179.2°179.7°
C17C22C21H12179.6°179.7°
O23C20C21C22179.9°179.8°
O23C20C19H110.1°0.1°
O23C20C21H120.1°0.0°
C20C21C22H12180.0°179.8°
C21C20C19H11179.9°180.0°
C20C21C22H13179.6°179.7°
C21C20O23H140.2°90.0°
H1C12H2H3120.0°120.0°
H5C15H6H7120.0°120.0°
H10C18C19H110.5°0.0°
H12C21C22H130.4°0.1°

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PDB entries from 2024-10-09

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