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U7W

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N4N3doub1.29Å1.30ÅAromatic
N4C11sing1.35Å1.38ÅAromatic
C12C11doub1.40Å1.41ÅAromatic
C12C13sing1.36Å1.37ÅAromatic
N3N2sing1.40Å1.36ÅAromatic
C11C16sing1.41Å1.38ÅAromatic
C13C14doub1.39Å1.40ÅAromatic
N2C16sing1.38Å1.37ÅAromatic
N2C10sing1.46Å1.44Å
C16C15doub1.39Å1.40ÅAromatic
C14C15sing1.38Å1.37ÅAromatic
C10C9sing1.51Å1.53Å
O1C9doub1.21Å1.22Å
C9N1sing1.35Å1.35Å
S1C6sing1.76Å1.73ÅAromatic
S1C5sing1.76Å1.71ÅAromatic
C7C6sing1.51Å1.50Å
C7C8sing1.53Å1.52Å
N1C2sing1.47Å1.46Å
N1C8sing1.47Å1.46Å
C6C3doub1.35Å1.36ÅAromatic
C3C2sing1.52Å1.49Å
C3C4sing1.39Å1.43ÅAromatic
C5C4doub1.33Å1.35ÅAromatic
C2C1sing1.53Å1.53Å
C4H1sing1.08Å1.08Å
C14H2sing1.08Å1.08Å
C5H3sing1.08Å1.08Å
C7H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C12H10sing1.08Å1.08Å
C13H11sing1.08Å1.08Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C1H14sing1.09Å1.10Å
C2H15sing1.09Å1.10Å
C15H16sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N3N4C11108.8°110.3°
N4N3N2108.5°109.5°
N4C11C12130.8°133.1°
N4C11C16108.4°107.7°
C11C12C13116.6°120.0°
C12C11C16120.8°119.2°
C11C12H10121.7°120.0°
C12C13C14122.0°120.7°
C13C12H10121.7°120.0°
C12C13H11119.0°119.6°
N3N2C16110.1°106.5°
N3N2C10120.0°126.7°
C11C16N2104.2°106.1°
C11C16C15122.4°120.0°
C13C14C15122.3°120.5°
C13C14H2118.8°119.8°
C14C13H11119.0°119.7°
C16N2C10129.8°126.8°
N2C16C15133.3°133.9°
N2C10C9108.4°109.5°
N2C10H8109.8°109.5°
N2C10H9109.7°109.5°
C16C15C14115.8°119.7°
C16C15H16122.1°120.2°
C15C14H2118.8°119.7°
C14C15H16122.1°120.2°
C10C9O1121.1°120.0°
C10C9N1118.7°120.0°
C9C10H8109.7°109.4°
C9C10H9109.7°109.5°
O1C9N1120.3°120.0°
C9N1C2116.5°120.8°
C9N1C8127.1°120.9°
C6S1C591.4°91.1°
S1C6C7122.9°125.1°
S1C6C3111.0°109.8°
S1C5C4112.2°109.6°
S1C5H3123.9°125.2°
C6C7C8106.9°109.0°
C7C6C3126.0°125.1°
C6C7H4110.1°109.6°
C6C7H5110.1°109.5°
C7C8N1108.1°108.6°
C8C7H4110.1°109.6°
C8C7H5110.1°109.5°
C7C8H6109.8°109.6°
C7C8H7109.8°109.7°
C2N1C8116.0°118.2°
N1C2C3106.2°107.8°
N1C2C1112.6°109.8°
N1C2H15107.5°109.8°
N1C8H6109.8°109.6°
N1C8H7109.8°109.8°
C6C3C2122.5°122.6°
C6C3C4112.8°113.8°
C2C3C4124.8°123.6°
C3C2C1116.1°109.8°
C3C2H15107.2°109.8°
C3C4C5112.0°115.6°
C3C4H1124.0°122.2°
C5C4H1124.0°122.2°
C4C5H3123.9°125.2°
C2C1H12109.5°109.5°
C2C1H13109.5°109.4°
C2C1H14109.4°109.5°
C1C2H15106.8°109.8°
H4C7H5109.5°109.6°
H6C8H7109.4°109.6°
H8C10H9109.5°109.5°
H12C1H13109.5°109.5°
H12C1H14109.5°109.5°
H13C1H14109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N3N4C11C12179.5°180.0°
N3N4C11C160.9°0.0°
N4N3N2C161.2°0.0°
N4N3N2C10177.4°180.0°
N4C11C12C16178.5°180.0°
N4C11C12C13179.2°179.2°
C11N4N3N20.2°0.0°
N4C11C16N21.5°0.0°
N4C11C16C15179.2°179.5°
N4C11C12H100.8°0.1°
C11C12C13H10180.0°179.1°
C11C12C13C140.0°0.6°
C12C11C16N2179.7°179.9°
C12C11C16C150.4°0.5°
C11C12C13H11179.9°179.4°
C13C12C11C160.8°0.8°
C12C13C14H11180.0°179.9°
C12C13C14C151.3°0.0°
C12C13C14H2178.7°179.7°
N3N2C16C111.7°0.0°
N3N2C16C10175.8°179.9°
N3N2C16C15179.2°179.4°
N3N2C10C994.9°90.0°
N3N2C10H8145.3°150.0°
N3N2C10H924.9°30.0°
C11C16N2C15179.2°179.4°
C11C16N2C10177.4°180.0°
C11C16C15C140.8°0.0°
C16C11C12H10179.3°180.0°
C11C16C15H16179.2°180.0°
C13C14C15C161.6°0.3°
C13C14C15H2180.0°179.7°
C14C13C12H10179.9°179.7°
C13C14C15H16178.4°179.7°
N2C16C15C14178.3°179.3°
C16N2C10C980.5°89.9°
C16N2C10H839.3°30.0°
C16N2C10H9159.7°150.0°
N2C16C15H161.7°0.7°
C10N2C16C153.4°0.6°
N2C10C9H8119.8°120.0°
N2C10C9H9119.8°120.1°
N2C10C9O10.1°0.1°
N2C10C9N1179.8°180.0°
N2C10H8H9120.5°120.0°
C16C15C14H16180.0°180.0°
C16C15C14H2178.4°180.0°
C15C14C13H11178.7°180.0°
C10C9O1N1179.9°179.9°
C10C9N1C2176.9°180.0°
C10C9N1C85.0°0.0°
C9C10H8H9120.5°120.0°
O1C9N1C23.1°0.0°
O1C9N1C8175.1°180.0°
O1C9C10H8120.0°120.0°
O1C9C10H9119.7°120.0°
C9N1C8C7100.4°115.0°
C9N1C2C8172.9°180.0°
C9N1C2C3123.1°134.9°
C9N1C2C1108.8°105.6°
C9N1C8H619.4°4.7°
C9N1C8H7139.8°125.1°
N1C9C10H860.0°60.0°
N1C9C10H960.4°60.0°
C9N1C2H158.5°15.3°
S1C6C7C3176.6°179.9°
S1C6C7C8164.9°162.0°
S1C6C3C2176.1°179.6°
S1C6C3C43.2°0.5°
C6S1C5C48.1°0.1°
C6S1C5H3172.0°180.0°
S1C6C7H475.5°78.1°
S1C6C7H545.3°42.2°
C5S1C6C7170.7°179.7°
C5S1C6C36.4°0.3°
S1C5C4C37.6°0.4°
S1C5C4H3180.0°179.9°
S1C5C4H1172.4°179.9°
C6C7C8H4119.6°119.9°
C6C7C8H5119.6°119.8°
C6C7C8N145.8°45.6°
C7C6C3C27.0°0.5°
C7C6C3C4173.7°179.4°
C6C7H4H5121.2°120.2°
C6C7C8H6165.6°165.3°
C6C7C8H774.0°74.4°
C7C8N1C271.6°65.0°
C7C8N1H6119.8°119.7°
C7C8N1H7119.8°119.9°
C8C7C6C311.8°18.1°
C8C7H4H5121.2°120.2°
C7C8H6H7120.6°120.4°
N1C2C3C610.2°11.6°
N1C2C3C1126.0°119.6°
N1C2C3H15114.8°119.6°
N1C2C3C4169.0°168.3°
N1C2C1H15117.8°120.9°
C2N1C8H6168.6°175.3°
C2N1C8H748.2°54.9°
N1C2C1H12180.0°60.0°
N1C2C1H1360.0°180.0°
N1C2C1H1460.0°60.0°
C8N1C2C349.8°45.1°
C8N1C2C178.4°74.4°
N1C8C7H473.8°74.3°
N1C8C7H5165.4°165.4°
N1C8H6H7120.6°120.6°
C8N1C2H15164.3°164.7°
C6C3C2C4179.2°179.9°
C6C3C4C52.8°0.6°
C6C3C2C1115.8°108.0°
C6C3C4H1177.2°179.7°
C3C6C7H4107.8°101.8°
C3C6C7H5131.3°137.9°
C6C3C2H15124.9°131.2°
C2C3C4C5177.9°179.5°
C3C2C1H15119.5°120.8°
C2C3C4H12.1°0.2°
C3C2C1H1257.3°58.3°
C3C2C1H13177.3°61.7°
C3C2C1H1462.8°178.3°
C3C4C5H1180.0°179.7°
C4C3C2C165.0°72.1°
C3C4C5H3172.4°179.6°
C4C3C2H1554.3°48.7°
C2C1H12H13120.0°120.0°
C2C1H12H14120.0°120.0°
C2C1H13H14120.0°120.0°
H1C4C5H37.6°0.0°
H2C14C13H111.3°0.3°
H2C14C15H161.6°0.0°
H4C7C8H646.0°45.4°
H4C7C8H7166.4°165.7°
H5C7C8H674.8°74.9°
H5C7C8H745.6°45.4°
H10C12C13H110.1°0.2°
H12C1H13H14120.0°120.0°
H12C1C2H1562.2°179.1°
H13C1C2H1557.8°59.1°
H14C1C2H15177.8°60.8°

226707

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