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95D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C27C28doub1.39Å1.38ÅAromatic
C27C24sing1.37Å1.38ÅAromatic
C28C18sing1.38Å1.39ÅAromatic
C24C3doub1.40Å1.39ÅAromatic
C23C17sing1.51Å1.52Å
C23O20sing1.43Å1.42Å
N12C7doub1.30Å1.31ÅAromatic
N12C14sing1.32Å1.38ÅAromatic
N11C7sing1.39Å1.38Å
N11C10sing1.35Å1.40Å
C18O20sing1.36Å1.36Å
C18C9doub1.39Å1.40ÅAromatic
C17N26sing1.35Å1.32Å
C17O21doub1.21Å1.24Å
N6C10sing1.35Å1.39Å
N6S1sing1.66Å1.64Å
O15S1doub1.42Å1.43Å
C3C9sing1.41Å1.40ÅAromatic
C3C2sing1.47Å1.43ÅAromatic
C7S8sing1.71Å1.73ÅAromatic
C14C13doub1.34Å1.34ÅAromatic
C9N4sing1.38Å1.38ÅAromatic
C10O19doub1.22Å1.23Å
S1C2sing1.76Å1.67Å
S1O16doub1.42Å1.43Å
C2C5doub1.34Å1.37ÅAromatic
C13S8sing1.76Å1.71ÅAromatic
C13BR22sing1.89Å1.87Å
N4C5sing1.37Å1.36ÅAromatic
N4C25sing1.46Å1.44Å
C5H1sing1.08Å1.08Å
C24H2sing1.08Å1.08Å
C28H3sing1.08Å1.08Å
C14H4sing1.08Å1.08Å
C23H5sing1.09Å1.10Å
C23H6sing1.09Å1.10Å
C25H7sing1.09Å1.10Å
C25H8sing1.09Å1.10Å
C25H9sing1.09Å1.10Å
C27H10sing1.08Å1.08Å
N11H11sing0.97Å1.00Å
N26H12sing0.97Å1.00Å
N26H13sing0.97Å1.00Å
N6H14sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C28C27C24120.7°120.6°
C27C28C18119.8°120.6°
C27C28H3120.1°119.7°
C28C27H10119.6°119.7°
C27C24C3120.4°119.9°
C27C24H2119.8°120.0°
C24C27H10119.6°119.8°
C28C18O20122.9°120.2°
C28C18C9119.8°119.7°
C18C28H3120.1°119.7°
C24C3C9118.9°120.0°
C24C3C2131.0°134.0°
C3C24H2119.8°120.1°
C17C23O20107.2°109.5°
C23C17N26116.8°120.1°
C23C17O21120.2°120.0°
C17C23H5110.0°109.5°
C17C23H6110.0°109.4°
C23O20C18116.6°117.0°
O20C23H5110.0°109.5°
O20C23H6110.0°109.5°
C7N12C14109.8°116.9°
N12C7N11120.8°124.9°
N12C7S8115.6°110.1°
N12C14C13115.0°114.5°
N12C14H4122.5°122.8°
C7N11C10123.3°120.0°
N11C7S8123.5°124.9°
C7N11H11118.4°120.0°
N11C10N6117.1°120.0°
N11C10O19122.0°120.0°
C10N11H11118.3°119.9°
O20C18C9117.3°120.1°
C18C9C3120.4°119.3°
C18C9N4133.0°133.5°
N26C17O21123.0°119.9°
C17N26H12120.0°120.1°
C17N26H13120.0°120.0°
C10N6S1122.1°120.0°
N6C10O19120.8°120.0°
C10N6H14119.0°120.0°
N6S1O1599.3°106.4°
N6S1C2109.8°107.2°
N6S1O16104.1°106.4°
S1N6H14118.9°120.0°
O15S1C2112.0°106.4°
O15S1O16117.8°123.2°
C9C3C2110.1°106.0°
C3C9N4106.6°107.2°
C3C2S1128.2°126.5°
C3C2C5102.5°107.0°
C7S8C1387.7°90.4°
C14C13S8111.9°108.1°
C14C13BR22128.1°125.9°
C13C14H4122.5°122.7°
C9N4C5107.3°109.8°
C9N4C25128.3°125.1°
C2S1O16112.4°106.4°
S1C2C5129.3°126.5°
C2C5N4113.5°109.9°
C2C5H1123.2°125.0°
S8C13BR22120.0°126.0°
C5N4C25124.4°125.1°
N4C5H1123.2°125.0°
N4C25H7109.5°109.5°
N4C25H8109.4°109.5°
N4C25H9109.5°109.5°
H5C23H6109.5°109.5°
H7C25H8109.5°109.4°
H7C25H9109.5°109.5°
H8C25H9109.4°109.5°
H12N26H13120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C28C27C24H10180.0°179.8°
C27C28C18H3180.0°180.0°
C28C27C24C30.9°0.2°
C27C28C18O20179.8°179.9°
C27C28C18C90.4°0.0°
C28C27C24H2179.1°180.0°
C24C27C28C180.7°0.1°
C27C24C3H2180.0°179.9°
C27C24C3C90.8°0.1°
C27C24C3C2179.8°179.9°
C24C27C28H3179.3°179.9°
C28C18O20C2325.7°0.1°
C28C18O20C9179.5°180.0°
C28C18C9C30.3°0.0°
C28C18C9N4179.4°179.7°
C18C28C27H10179.3°179.9°
C24C3C9C180.5°0.0°
C24C3C9C2179.2°180.0°
C24C3C9N4179.3°179.8°
C24C3C2S11.6°0.0°
C24C3C2C5179.3°180.0°
C3C24C27H10179.1°180.0°
C17C23O20H5119.6°120.0°
C17C23O20H6119.6°120.0°
C17C23O20C18121.8°179.9°
C23C17N26O21180.0°179.9°
C17C23H5H6121.1°119.9°
C23C17N26H12180.0°180.0°
C23C17N26H130.0°0.1°
C23O20C18C9153.8°180.0°
O20C23C17N26126.4°180.0°
O20C23C17O2153.6°0.0°
O20C23H5H6121.1°120.0°
N12C7N11S8177.4°179.8°
N12C7N11C10149.3°0.3°
C7N12C14C131.2°0.1°
N12C7S8C130.7°0.0°
C7N12C14H4178.8°180.0°
N12C7N11H1130.7°179.7°
C14N12C7N11178.8°179.8°
C14N12C7S81.2°0.1°
N12C14C13H4180.0°179.9°
N12C14C13S80.7°0.0°
N12C14C13BR22179.6°180.0°
C7N11C10H11180.0°180.0°
C7N11C10N6179.0°179.9°
C7N11C10O191.7°0.0°
N11C7S8C13178.2°179.8°
N11C10N6O19179.3°179.9°
N11C10N6S1179.8°175.0°
C10N11C7S828.1°180.0°
N11C10N6H140.2°5.0°
O20C18C9C3179.8°180.0°
O20C18C9N40.1°0.3°
O20C18C28H30.2°0.1°
C18O20C23H5118.6°60.0°
C18O20C23H62.1°60.0°
C18C9C3N4179.8°179.8°
C18C9C3C2179.7°180.0°
C18C9N4C5179.8°179.9°
C18C9N4C251.1°0.0°
C9C18C28H3179.6°180.0°
N26C17C23H56.7°59.9°
N26C17C23H6114.0°60.0°
C17N26H12H13180.0°179.9°
O21C17C23H5173.3°120.0°
O21C17C23H666.0°120.1°
O21C17N26H120.0°0.1°
O21C17N26H13180.0°180.0°
C10N6S1H14180.0°179.9°
C10N6S1O15156.1°48.7°
C10N6S1C286.3°64.9°
C10N6S1O1634.2°178.4°
N6C10N11H111.0°0.0°
N6S1O15C2115.9°114.1°
N6S1O15O16111.5°123.0°
N6S1C2C390.9°65.0°
S1N6C10O190.9°5.2°
N6S1C2O16115.4°113.6°
N6S1C2C590.1°114.9°
O15S1C2C318.4°178.6°
O15S1C2O16135.2°132.9°
O15S1C2C5160.5°1.4°
O15S1N6H1423.9°131.3°
C9C3C2S1179.4°179.9°
C9C3C2C50.2°0.0°
C3C9N4C50.1°0.4°
C3C9N4C25179.2°179.7°
C9C3C24H2179.2°180.0°
C2C3C9N40.1°0.2°
C3C2S1C5178.9°179.9°
C3C2S1O16153.6°48.5°
C3C2C5N40.3°0.2°
C3C2C5H1179.7°180.0°
C2C3C24H20.2°0.1°
C7S8C13C140.1°0.0°
C7S8C13BR22179.7°180.0°
S8C7N11H11151.9°0.1°
C14C13S8BR22179.7°180.0°
C9N4C5C20.2°0.4°
C9N4C5C25179.1°179.9°
C9N4C5H1179.7°179.9°
C9N4C25H7180.0°90.0°
C9N4C25H860.0°150.0°
C9N4C25H960.0°30.0°
O19C10N11H11178.3°179.9°
O19C10N6H14179.2°174.9°
S1C2C5N4179.4°179.8°
S1C2C5H10.5°0.1°
C2S1N6H1493.7°115.2°
O16S1C2C525.3°131.5°
O16S1N6H14145.8°1.7°
C2C5N4H1180.0°179.7°
C2C5N4C25179.4°179.7°
S8C13C14H4179.3°179.9°
BR22C13C14H40.4°0.1°
C5N4C25H71.0°90.1°
C5N4C25H8119.0°29.9°
C5N4C25H9121.1°149.8°
C25N4C5H10.6°0.0°
N4C25H7H8120.0°120.0°
N4C25H7H9120.0°120.0°
N4C25H8H9120.0°120.0°
H2C24C27H100.9°0.1°
H3C28C27H100.7°0.1°
H7C25H8H9120.0°120.0°

220113

PDB entries from 2024-05-22

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