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TMC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O16C12sing1.43Å1.45Å
O16H16sing0.97Å0.95Å
O18C10sing1.43Å1.44Å
O18H18sing0.97Å0.95Å
O9C11doub1.22Å1.24Å
O7C6doub1.22Å1.25Å
N8C17sing1.46Å1.51Å
N8C11sing1.34Å1.38ÅAromatic
N8C2sing1.37Å1.39ÅAromatic
N5C11sing1.35Å1.39ÅAromatic
N5C6sing1.35Å1.40ÅAromatic
N5H5sing0.97Å1.02Å
C1C10sing1.54Å1.52Å
C1C13sing1.54Å1.52Å
C1C15sing1.53Å1.50Å
C1C12sing1.53Å1.50Å
C10C14sing1.55Å1.52Å
C10H10sing1.09Å1.11Å
C14C17sing1.55Å1.59Å
C14H142sing1.09Å1.11Å
C14H141sing1.09Å1.12Å
C17C13sing1.54Å1.55Å
C17H17sing1.09Å1.12Å
C13C15sing1.56Å1.52Å
C13H13sing1.09Å1.11Å
C15H152sing1.09Å1.12Å
C15H151sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
C12H121sing1.09Å1.11Å
C6C4sing1.42Å1.45ÅAromatic
C4C2doub1.35Å1.35ÅAromatic
C4C3sing1.51Å1.53Å
C2H2sing1.08Å1.10Å
C3H33sing1.09Å1.12Å
C3H32sing1.09Å1.11Å
C3H31sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12O16H16105.9°106.8°
O16C12C1105.9°109.5°
O16C12H122113.6°109.5°
O16C12H121113.6°109.5°
C10O18H18114.0°106.8°
O18C10C1114.0°110.6°
O18C10C14113.2°110.5°
O18C10H10103.4°110.5°
O9C11N8126.9°119.6°
O9C11N5118.5°119.5°
O7C6N5124.7°120.3°
O7C6C4121.0°120.3°
C17N8C11116.9°119.7°
C17N8C2120.8°119.7°
N8C17C14102.2°110.5°
N8C17C13115.3°110.5°
N8C17H17110.6°110.4°
C11N8C2121.2°120.6°
N8C11N5114.5°120.9°
N8C2C4123.5°119.7°
N8C2H2119.7°120.2°
C11N5C6127.6°120.3°
C11N5H5115.8°119.9°
C6N5H5116.6°119.9°
N5C6C4114.3°119.4°
C10C1C13110.0°106.7°
C10C1C15118.4°118.2°
C10C1C12115.9°117.4°
C1C10C14109.4°104.2°
C1C10H10107.7°110.5°
C13C1C1560.4°60.9°
C13C1C12119.7°121.3°
C1C13C17105.4°106.4°
C1C13C1558.9°59.2°
C1C13H13140.0°121.5°
C15C1C12120.3°119.3°
C1C15C1360.7°60.0°
C1C15H152134.6°117.5°
C1C15H151134.6°117.5°
C1C12H122113.5°109.4°
C1C12H121113.5°109.5°
C14C10H10108.7°110.5°
C10C14C17104.2°102.7°
C10C14H142114.2°110.8°
C10C14H141114.2°110.7°
C17C14H142114.2°110.8°
C17C14H141114.2°110.7°
C14C17C13109.3°104.3°
C14C17H17116.4°110.5°
H142C14H14196.3°110.8°
C13C17H17103.6°110.5°
C17C13C15114.7°118.2°
C17C13H13101.2°117.9°
C15C13H13132.3°119.3°
C13C15H152134.6°118.1°
C13C15H151134.6°117.1°
H152C15H15171.1°115.5°
H122C12H12196.9°109.5°
C6C4C2118.8°119.1°
C6C4C3119.1°120.5°
C2C4C3122.1°120.4°
C4C2H2116.8°120.1°
C4C3H33119.1°109.5°
C4C3H32108.8°109.5°
C4C3H31108.7°109.5°
H33C3H32108.7°109.4°
H33C3H31108.7°109.5°
H32C3H31101.3°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O16C12C1C1047.6°45.2°
O16C12C1C1387.9°179.2°
O16C12C1C15158.9°109.0°
O16C12C1H122125.3°120.0°
O16C12C1H121125.3°120.0°
O16C12H122H121119.5°120.0°
H16O16C12C1180.0°180.0°
H16O16C12H12254.8°60.1°
H16O16C12H12154.7°60.0°
O18C10C1C14127.9°118.7°
O18C10C1H10114.1°122.7°
O18C10C1C13138.0°142.3°
O18C10C1C1571.7°76.9°
O18C10C1C1282.3°77.6°
O18C10C14H10114.3°122.5°
O18C10C14C17141.6°156.8°
O18C10C14H14293.1°38.4°
O18C10C14H14116.3°85.0°
H18O18C10C1180.0°176.3°
H18O18C10C1454.0°61.5°
H18O18C10H1063.4°61.1°
O9C11N8C1712.9°0.0°
O9C11N8N5176.1°179.9°
O9C11N8C2178.9°179.9°
O9C11N5C6176.8°179.7°
O9C11N5H53.2°0.1°
O7C6N5C11176.9°180.0°
O7C6N5C4178.1°179.5°
O7C6N5H53.1°0.2°
O7C6C4C2179.6°180.0°
O7C6C4C31.9°0.3°
C17N8C11C2168.2°179.9°
C17N8C11N5163.2°179.9°
N8C17C13C1108.2°95.1°
N8C17C14C10110.6°80.7°
N8C17C14C13122.6°118.7°
N8C17C14H17120.6°122.5°
N8C17C14H14214.7°160.9°
N8C17C14H141124.2°37.6°
N8C17C13H17121.0°122.5°
N8C17C13C15170.7°158.5°
N8C17C13H1341.6°45.5°
C17N8C2C4165.5°179.9°
C17N8C2H214.5°0.0°
N8C11N5C66.8°0.3°
N8C11N5H5173.2°179.9°
C11N8C17C14102.3°113.6°
C11N8C17C13139.2°131.5°
C11N8C17H1722.2°9.0°
C11N8C2C42.2°0.0°
C11N8C2H2177.8°179.9°
C2N8C11N55.0°0.0°
C2N8C17C1489.4°66.5°
C2N8C17C1329.0°48.4°
C2N8C17H17146.1°170.9°
N8C2C4C60.2°0.2°
N8C2C4H2180.0°179.9°
N8C2C4C3177.4°180.0°
C11N5C6H5180.0°179.8°
C11N5C6C45.0°0.5°
N5C6C4C21.4°0.5°
N5C6C4C3176.3°179.8°
H5N5C6C4175.0°179.7°
C10C1C13C15112.0°113.4°
C10C1C13C12137.9°138.2°
C10C1C15C12152.9°154.0°
C1C10C14H10117.4°118.6°
C1C10C14C1713.2°37.9°
C1C10C14H142138.5°80.4°
C1C10C14H141112.0°156.2°
C10C1C13C172.2°0.0°
C10C1C13H13127.7°138.9°
C10C1C15H15227.3°14.0°
C10C1C15H151136.7°158.8°
C10C1C12H12277.7°74.8°
C10C1C12H121172.9°165.2°
C13C1C15C12109.1°111.7°
C13C1C10C1410.1°23.6°
C13C1C10H10107.8°95.1°
C1C13C17C146.1°23.7°
C1C13C17C1562.5°63.4°
C1C13C17H13149.8°140.6°
C1C13C17H17130.8°142.4°
C1C13C15H13131.4°111.3°
C13C1C15H152125.3°108.2°
C13C1C15H151125.3°107.0°
C13C1C12H122146.8°59.2°
C13C1C12H12137.4°60.8°
C15C1C10C1456.2°41.8°
C15C1C10H10174.1°160.5°
C1C15H152H151134.8°145.5°
C15C1C12H12275.8°131.0°
C15C1C12H12133.6°11.0°
C12C1C10C14149.8°163.6°
C12C1C10H1031.8°45.0°
C12C1C13C17140.1°138.1°
C12C1C13H1310.2°0.8°
C12C1C15H152125.6°140.1°
C12C1C15H15116.1°4.7°
C1C12H122H121119.4°120.0°
C10C14C17H142125.3°118.3°
C10C14C17H141125.2°118.3°
C10C14H142H141120.1°123.3°
C10C14C17C1312.0°38.0°
C10C14C17H17128.8°156.8°
H10C10C14C17104.1°80.7°
H10C10C14H14221.2°161.0°
H10C10C14H141130.6°37.6°
C17C14H142H141120.1°123.3°
C14C17C13H17124.6°118.8°
C14C17C13C1556.3°39.7°
C14C17C13H13156.0°164.3°
H142C14C17C13137.3°80.3°
H142C14C17H17105.9°38.5°
H141C14C17C13113.2°156.3°
H141C14C17H173.6°84.9°
C17C13C15H13134.9°155.7°
C17C13C15H15231.6°14.1°
C17C13C15H151141.0°159.3°
H17C17C13C1568.3°79.1°
H17C17C13H1379.4°76.9°
C13C15H152H151134.8°145.7°
H13C13C15H152103.4°141.5°
H13C13C15H1516.1°3.7°
C6C4C2C3177.6°179.7°
C6C4C2H2179.8°179.7°
C6C4C3H33180.0°0.3°
C6C4C3H3254.8°119.7°
C6C4C3H3154.8°120.3°
C2C4C3H332.4°180.0°
C2C4C3H32127.6°60.0°
C2C4C3H31122.8°60.0°
C3C4C2H22.6°0.0°
C4C3H33H32125.2°120.1°
C4C3H33H31125.2°120.0°
C4C3H32H31114.4°120.0°
H33C3H32H31114.5°120.0°

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PDB entries from 2024-06-12

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