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A1CQF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S11C12sing1.77Å1.73Å
S11C10sing1.82Å1.70Å
C13C12doub1.38Å1.40ÅAromatic
C13C14sing1.38Å1.40ÅAromatic
C12C18sing1.39Å1.40ÅAromatic
O03C02doub1.21Å1.19Å
C14C15doub1.38Å1.41ÅAromatic
C10C20sing1.51Å1.53Å
C10C09sing1.53Å1.53Å
C18N19sing1.39Å1.59Å
C18C17doub1.39Å1.40ÅAromatic
C20N19sing1.33Å1.55Å
C20O21doub1.21Å1.19Å
C15C17sing1.38Å1.39ÅAromatic
C15CL16sing1.74Å1.78Å
C22C04sing1.54Å1.48Å
C22N06sing1.48Å1.50Å
C02C04sing1.51Å1.53Å
C02N01sing1.35Å1.45Å
C04C05sing1.54Å1.49Å
C09C07sing1.51Å1.53Å
N06C07sing1.35Å1.45Å
N06C05sing1.48Å1.49Å
C07O08doub1.21Å1.19Å
C10H1sing1.09Å1.10Å
C13H2sing1.08Å1.08Å
C17H3sing1.08Å1.08Å
C22H4sing1.09Å1.10Å
C22H5sing1.09Å1.10Å
C04H6sing1.09Å1.10Å
C05H7sing1.09Å1.10Å
C05H8sing1.09Å1.10Å
C09H9sing1.09Å1.10Å
C09H10sing1.09Å1.10Å
C14H11sing1.08Å1.08Å
N01H12sing0.97Å1.00Å
N01H13sing0.97Å1.00Å
N19H14sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12S11C10108.9°101.8°
S11C12C13121.0°120.0°
S11C12C18118.1°119.5°
S11C10C20113.7°108.6°
S11C10C09106.7°109.6°
S11C10H1107.6°109.7°
C12C13C14119.8°119.9°
C13C12C18120.8°120.6°
C12C13H2120.1°120.1°
C13C14C15119.3°119.9°
C14C13H2120.1°120.0°
C13C14H11120.4°120.0°
C12C18N19120.5°122.0°
C12C18C17119.4°119.0°
O03C02C04119.8°120.0°
O03C02N01120.4°120.0°
C14C15C17120.8°120.4°
C14C15CL16119.6°119.8°
C15C14H11120.4°120.1°
C20C10C09109.4°109.6°
C10C20N19115.4°123.0°
C10C20O21122.0°118.4°
C20C10H1109.7°109.6°
C10C09C07112.5°109.5°
C09C10H1109.7°109.6°
C10C09H9108.7°109.5°
C10C09H10108.7°109.5°
N19C18C17120.1°119.1°
C18N19C20123.1°126.3°
C18N19H14118.5°116.9°
C18C17C15119.9°120.3°
C18C17H3120.0°119.9°
N19C20O21122.7°118.5°
C20N19H14118.5°116.9°
C17C15CL16119.6°119.8°
C15C17H3120.1°119.8°
C04C22N0689.6°86.2°
C22C04C02112.0°113.8°
C22C04C0589.9°86.3°
C04C22H4114.2°113.8°
C04C22H5114.2°113.8°
C22C04H6113.6°113.7°
C22N06C07135.7°134.5°
C22N06C0589.1°91.0°
N06C22H4114.2°113.8°
N06C22H5114.2°113.8°
C04C02N01119.8°120.0°
C02C04C05113.1°113.7°
C02C04H6112.8°113.0°
C02N01H12120.0°120.0°
C02N01H13120.0°120.0°
C04C05N0689.6°86.2°
C05C04H6113.5°113.8°
C04C05H7114.2°113.8°
C04C05H8114.2°113.8°
C09C07N06119.4°120.0°
C09C07O08120.4°120.0°
C07C09H9108.7°109.5°
C07C09H10108.7°109.5°
C07N06C05135.2°134.6°
N06C07O08120.2°120.1°
N06C05H7114.2°113.8°
N06C05H8114.2°113.8°
H4C22H5109.4°113.0°
H7C05H8109.5°113.0°
H9C09H10109.5°109.4°
H12N01H13120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S11C12C13C18179.6°179.6°
S11C12C13C14179.9°179.1°
C12S11C10C2051.3°45.2°
C12S11C10C0969.3°74.6°
S11C12C18N190.1°1.3°
S11C12C18C17180.0°178.9°
C12S11C10H1173.1°165.0°
S11C12C13H20.1°0.9°
C10S11C12C13146.5°150.1°
C10S11C12C1833.1°30.3°
S11C10C20C09119.1°119.7°
S11C10C20H1120.5°119.9°
S11C10C09H1116.3°120.5°
S11C10C20N1935.7°38.8°
S11C10C20O21144.8°141.3°
S11C10C09C07171.7°65.9°
S11C10C09H951.3°54.2°
S11C10C09H1067.8°174.1°
C12C13C14H2180.0°180.0°
C12C13C14C150.2°0.0°
C13C12C18N19179.7°179.1°
C13C12C18C170.4°0.7°
C12C13C14H11179.8°180.0°
C14C13C12C180.3°0.5°
C13C14C15H11180.0°179.9°
C13C14C15C170.1°0.3°
C13C14C15CL16180.0°179.8°
C12C18N19C17179.9°179.8°
C12C18N19C2019.8°16.8°
C12C18C17C150.4°0.4°
C18C12C13H2179.7°179.5°
C12C18C17H3179.6°179.6°
C12C18N19H14160.2°163.1°
O03C02C04C2228.0°0.0°
O03C02C04N01179.8°180.0°
O03C02C04C05127.8°96.7°
O03C02C04H6101.7°131.6°
O03C02N01H120.0°180.0°
O03C02N01H13180.0°0.0°
C14C15C17C180.3°0.0°
C14C15C17CL16179.9°179.9°
C15C14C13H2179.9°180.0°
C14C15C17H3179.8°179.9°
C20C10C09H1120.4°120.4°
C10C20N19C180.1°5.7°
C10C20N19O21179.5°179.9°
C20C10C09C0764.9°175.0°
C20C10C09H9174.6°65.0°
C20C10C09H1055.5°55.0°
C10C20N19H14179.9°174.3°
C09C10C20N1983.3°81.0°
C09C10C20O2196.1°99.0°
C10C09C07H9120.5°120.0°
C10C09C07H10120.5°120.0°
C10C09C07N0645.4°180.0°
C10C09C07O08134.6°0.1°
C10C09H9H10118.7°120.0°
C18N19C20H14180.0°180.0°
C18N19C20O21179.6°174.3°
N19C18C17C15179.7°179.4°
N19C18C17H30.3°0.6°
C17C18N19C20160.3°163.0°
C18C17C15H3180.0°180.0°
C18C17C15CL16179.9°180.0°
C17C18N19H1419.7°17.1°
N19C20C10H1156.3°158.7°
O21C20C10H124.3°21.4°
O21C20N19H140.4°5.6°
C17C15C14H11179.8°179.8°
CL16C15C17H30.1°0.0°
CL16C15C14H110.0°0.1°
C04C22N06H4116.5°114.3°
C04C22N06H5116.5°114.3°
C22C04C02C0599.8°96.6°
C22C04C02H6129.6°131.6°
C22C04C02N01151.8°180.0°
C22C04C05H6115.8°114.3°
C04C22N06C07169.5°155.3°
C04C22N06C0510.3°24.6°
C04C22H4H5129.4°131.7°
C22C04C05H7126.8°90.7°
C22C04C05H8106.1°138.0°
N06C22C04C02104.7°137.9°
C22N06C07C090.0°180.0°
C22N06C07C05179.6°180.0°
C22N06C07O08180.0°0.0°
N06C22H4H5129.5°131.7°
N06C22C04H6126.0°90.8°
C22N06C05H7126.7°89.7°
C22N06C05H8106.3°138.9°
C02C04C05H6130.2°131.3°
C02C04C05N06103.6°137.9°
C02C04C22H4138.7°107.8°
C02C04C22H511.8°23.6°
C02C04C05H712.8°23.6°
C02C04C05H8139.9°107.7°
C04C02N01H12179.8°0.0°
C04C02N01H130.2°180.0°
N01C02C04C0552.0°83.3°
N01C02C04H678.6°48.4°
C02N01H12H13180.0°180.0°
C04C05N06C07169.5°155.3°
C04C05N06H7116.5°114.3°
C04C05N06H8116.5°114.3°
C05C04C22H4106.2°137.9°
C05C04C22H5126.8°90.8°
C04C05H7H8129.5°131.7°
C09C07N06O08180.0°179.9°
C09C07N06C05179.6°0.0°
C07C09C10H155.5°54.6°
C07C09H9H10118.6°120.0°
C07N06C22H474.0°41.0°
C07N06C22H553.0°90.3°
C07N06C05H753.0°90.3°
C07N06C05H874.0°41.0°
N06C07C09H975.0°60.0°
N06C07C09H10165.9°60.0°
C05N06C07O080.4°179.9°
C05N06C22H4106.2°139.0°
C05N06C22H5126.7°89.7°
N06C05C04H6126.1°90.7°
N06C05H7H8129.4°131.8°
O08C07C09H9104.9°120.0°
O08C07C09H1014.1°120.1°
H1C10C09H965.0°174.7°
H1C10C09H10175.9°65.4°
H2C13C14H110.2°0.1°
H4C22C04H69.5°23.5°
H5C22C04H6117.4°154.8°
H6C04C05H7117.4°154.9°
H6C04C05H89.7°23.7°

253795

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