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WS7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O04C04doub1.22Å1.25Å
C04N03sing1.35Å1.35Å
C04C4Asing1.41Å1.49Å
N03C02sing1.36Å1.36Å
C02N02sing1.37Å1.37Å
C02N01doub1.32Å1.36Å
N01C1Asing1.34Å1.37Å
C1AC4Adoub1.40Å1.47Å
C1AN10sing1.38Å1.33Å
C4AN05sing1.36Å1.35Å
N05C5Adoub1.28Å1.34Å
N10C9Asing1.47Å1.46Å
C9AC09sing1.53Å1.55Å
C9AC10sing1.53Å1.51Å
C9AC5Asing1.51Å1.50Å
C09C08sing1.53Å1.54Å
C5AC06sing1.51Å1.52Å
C06C07sing1.53Å1.54Å
C07C08sing1.53Å1.54Å
N02H021sing0.97Å1.00Å
N02H022sing0.97Å1.00Å
N10H10sing0.97Å1.00Å
C09H091sing1.09Å1.10Å
C09H092sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C10H103sing1.09Å1.10Å
C08H081sing1.09Å1.10Å
C08H082sing1.09Å1.10Å
C06H061sing1.09Å1.10Å
C06H062sing1.09Å1.10Å
C07H071sing1.09Å1.10Å
C07H072sing1.09Å1.10Å
N03H03sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O04C04N03120.5°120.7°
O04C04C4A121.3°120.7°
N03C04C4A118.2°118.7°
C04N03C02123.7°120.4°
C04N03H03118.2°119.8°
C04C4AC1A116.0°118.2°
C04C4AN05124.9°119.4°
N03C02N02119.4°119.2°
N03C02N01120.6°121.6°
C02N03H03118.2°119.8°
N02C02N01120.0°119.2°
C02N02H021120.0°120.0°
C02N02H022120.0°120.0°
C02N01C1A122.0°121.3°
N01C1AC4A119.5°119.8°
N01C1AN10123.4°119.7°
C4AC1AN10117.1°120.5°
C1AC4AN05118.2°122.4°
C1AN10C9A121.8°117.5°
C1AN10H10106.3°121.3°
C4AN05C5A120.6°122.6°
N05C5AC9A119.5°119.7°
N05C5AC06120.1°121.5°
N10C9AC09110.0°107.7°
N10C9AC10104.7°108.3°
N10C9AC5A112.3°117.1°
C9AN10H10106.3°121.2°
C09C9AC10112.4°108.1°
C09C9AC5A111.6°106.0°
C9AC09C08115.2°109.5°
C9AC09H091108.0°109.4°
C9AC09H092108.0°109.5°
C10C9AC5A105.6°109.3°
C9AC10H101109.5°109.4°
C9AC10H102109.5°109.4°
C9AC10H103109.4°109.5°
C9AC5AC06120.4°118.8°
C09C08C07115.0°109.7°
C08C09H091108.0°109.5°
C08C09H092108.0°109.5°
C09C08H081108.1°109.4°
C09C08H082108.1°109.4°
C5AC06C07111.9°108.3°
C5AC06H061108.9°109.7°
C5AC06H062108.9°109.7°
C06C07C08113.8°108.6°
C07C06H061108.9°109.7°
C07C06H062108.9°109.7°
C06C07H071108.4°109.5°
C06C07H072108.3°109.4°
C07C08H081108.1°110.4°
C07C08H082108.1°108.7°
C08C07H071108.4°110.5°
C08C07H072108.4°109.3°
H021N02H022120.0°120.0°
H091C09H092109.5°109.5°
H101C10H102109.5°109.5°
H101C10H103109.5°109.5°
H102C10H103109.5°109.4°
H081C08H082109.5°109.2°
H061C06H062109.5°109.8°
H071C07H072109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O04C04N03C4A179.5°179.6°
O04C04N03C02179.6°180.0°
O04C04C4AC1A179.9°179.3°
O04C04C4AN0510.9°1.1°
O04C04N03H030.3°0.1°
C04N03C02H03180.0°179.9°
C04N03C02N02179.9°179.8°
C04N03C02N010.1°0.3°
N03C04C4AC1A0.4°1.1°
N03C04C4AN05169.6°178.6°
C4AC04N03C020.1°0.3°
C04C4AC1AN010.5°1.3°
C04C4AC1AN05169.9°179.7°
C04C4AC1AN10179.4°178.7°
C04C4AN05C5A160.0°178.8°
C4AC04N03H03179.8°179.7°
N03C02N02N01179.9°180.0°
N03C02N01C1A0.0°0.1°
N03C02N02H021179.9°0.1°
N03C02N02H0220.1°180.0°
N02C02N01C1A180.0°180.0°
C02N02H021H022180.0°179.9°
N02C02N03H030.1°0.3°
C02N01C1AC4A0.3°0.7°
C02N01C1AN10179.5°179.3°
N01C02N02H0210.0°180.0°
N01C02N02H022180.0°0.1°
N01C02N03H03180.0°179.7°
N01C1AC4AN10179.9°180.0°
N01C1AC4AN05170.4°178.4°
N01C1AN10C9A159.7°178.2°
N01C1AN10H1038.0°1.8°
C1AC4AN05C5A31.0°1.5°
C4AC1AN10C9A20.4°1.8°
C4AC1AN10H10142.1°178.2°
N10C1AC4AN059.4°1.6°
C1AN10C9AH10121.7°180.0°
C1AN10C9AC09153.0°124.2°
C1AN10C9AC1086.1°119.2°
C1AN10C9AC5A28.0°4.9°
C4AN05C5AC9A22.0°1.9°
C4AN05C5AC06156.6°177.7°
N05C5AC9AN106.7°5.1°
N05C5AC9AC09130.7°125.3°
N05C5AC9AC10106.9°118.4°
N05C5AC9AC06178.6°179.6°
N05C5AC06C07155.4°126.1°
N05C5AC06H06135.1°6.4°
N05C5AC06H06284.2°114.2°
N10C9AC09C10116.2°116.8°
N10C9AC09C5A125.3°126.1°
N10C9AC10C5A118.7°128.6°
N10C9AC09C08146.4°176.7°
N10C9AC5AC06174.7°174.5°
N10C9AC09H09192.8°56.7°
N10C9AC09H09225.6°63.2°
N10C9AC10H101180.0°60.0°
N10C9AC10H10260.0°180.0°
N10C9AC10H10360.0°60.0°
C09C9AC10C5A121.9°114.9°
C9AC09C08H091120.8°120.0°
C9AC09C08H092120.8°120.0°
C09C9AC5AC0650.7°54.4°
C9AC09C08C0727.8°65.7°
C09C9AN10H1085.3°55.8°
C9AC09H091H092117.4°120.0°
C09C9AC10H10160.7°56.4°
C09C9AC10H102179.3°63.6°
C09C9AC10H10359.3°176.5°
C9AC09C08H081148.5°55.5°
C9AC09C08H08293.0°175.1°
C10C9AC09C0897.3°59.9°
C10C9AC5AC0671.7°61.9°
C10C9AN10H1035.6°60.9°
C10C9AC09H09123.5°60.1°
C10C9AC09H092141.8°180.0°
C9AC10H101H102120.0°120.0°
C9AC10H101H103120.0°120.1°
C9AC10H102H103120.0°120.0°
C5AC9AC09C0821.1°57.1°
C9AC5AC06C0726.0°53.6°
C5AC9AN10H10149.7°175.1°
C5AC9AC09H091141.9°177.2°
C5AC9AC09H09299.7°62.9°
C5AC9AC10H10161.3°171.3°
C5AC9AC10H10258.7°51.4°
C5AC9AC10H103178.7°68.6°
C9AC5AC06H061146.4°173.2°
C9AC5AC06H06294.4°66.1°
C09C08C07C0653.2°63.1°
C09C08C07H081120.8°120.6°
C09C08C07H082120.8°119.6°
C08C09H091H092117.4°120.0°
C09C08H081H082117.5°119.8°
C09C08C07H071173.9°57.1°
C09C08C07H07267.4°177.6°
C5AC06C07H061120.4°119.7°
C5AC06C07H062120.4°119.7°
C5AC06C07C0825.9°54.1°
C5AC06H061H062118.9°120.6°
C5AC06C07H071146.5°66.7°
C5AC06C07H07294.7°173.3°
C06C07C08H071120.6°120.1°
C06C07C08H072120.6°119.3°
C06C07C08H081174.0°57.6°
C06C07C08H08267.6°177.3°
C07C06H061H062118.9°120.6°
C06C07H071H072118.0°120.0°
C07C08C09H09193.1°174.3°
C07C08C09H092148.6°54.3°
C07C08H081H082117.5°119.4°
C08C07C06H06194.5°173.7°
C08C07C06H062146.3°65.6°
C08C07H071H072118.0°120.4°
H091C09C08H08127.7°64.5°
H091C09C08H082146.1°55.2°
H092C09C08H08190.6°175.5°
H092C09C08H08227.8°64.8°
H101C10H102H103120.0°120.0°
H081C08C07H07165.3°177.7°
H081C08C07H07253.4°61.8°
H082C08C07H07153.1°62.5°
H082C08C07H072171.8°58.0°
H061C06C07H07126.2°53.0°
H061C06C07H072144.9°67.1°
H062C06C07H07193.1°173.7°
H062C06C07H07225.6°53.6°

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