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4OJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.38Å1.39ÅAromatic
C1C6doub1.38Å1.39ÅAromatic
C2C3doub1.38Å1.39ÅAromatic
C3C4sing1.38Å1.39ÅAromatic
C4C5doub1.39Å1.39ÅAromatic
C5C6sing1.39Å1.39ÅAromatic
C5O12sing1.36Å1.38Å
C6C7sing1.51Å1.52Å
O12P13sing1.61Å1.58Å
P13O1Pdoub1.48Å1.47Å
P13O2Psing1.61Å1.49Å
P13O3Psing1.61Å47.60Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C7H71Csing1.09Å1.10Å
C7H72Csing1.09Å1.10Å
C7H73Csing1.09Å1.10Å
O2PHO2Psing0.97Å0.95Å
O3PHO3Psing0.97Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6119.3°120.0°
C1C2C3121.0°120.1°
C2C1H1120.4°120.0°
C1C2H2119.5°119.9°
C1C6C5119.9°119.9°
C1C6C7121.5°120.0°
C6C1H1120.4°120.0°
C2C3C4119.3°120.1°
C3C2H2119.5°119.9°
C2C3H3120.3°120.0°
C3C4C5119.8°119.9°
C4C3H3120.3°120.0°
C3C4H4120.1°120.0°
C4C5C6120.8°119.9°
C4C5O12122.2°120.0°
C5C4H4120.1°120.1°
C6C5O12117.0°120.1°
C5C6C7118.7°120.1°
C5O12P13128.6°114.1°
C6C7H71C109.5°109.5°
C6C7H72C109.5°109.4°
C6C7H73C109.4°109.5°
O12P13O1P112.2°109.5°
O12P13O2P107.1°109.5°
O12P13O3P98.1°109.5°
O1PP13O2P111.7°109.5°
O1PP13O3P114.1°109.4°
O2PP13O3P112.7°109.5°
P13O2PHO2P109.5°114.0°
P13O3PHO3P90.0°114.0°
H71CC7H72C109.4°109.4°
H71CC7H73C109.5°109.5°
H72CC7H73C109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1180.0°179.7°
C1C2C3H2180.0°180.0°
C1C2C3C40.2°0.0°
C2C1C6C50.2°0.1°
C2C1C6C7179.9°180.0°
C1C2C3H3179.8°180.0°
C6C1C2C30.0°0.0°
C1C6C5C40.2°0.1°
C1C6C5C7179.7°179.9°
C1C6C5O12179.3°179.9°
C6C1C2H2180.0°180.0°
C1C6C7H71C90.2°90.0°
C1C6C7H72C149.8°150.0°
C1C6C7H73C29.8°30.1°
C2C3C4H3180.0°179.9°
C2C3C4C50.2°0.0°
C3C2C1H1180.0°179.7°
C2C3C4H4179.8°179.9°
C3C4C5H4180.0°180.0°
C3C4C5C60.1°0.0°
C3C4C5O12179.4°180.0°
C4C3C2H2179.8°180.0°
C4C5C6O12179.4°180.0°
C4C5C6C7179.8°180.0°
C4C5O12P1387.3°75.0°
C5C4C3H3179.7°180.0°
C6C5O12P1393.3°105.0°
C5C6C1H1179.9°179.8°
C6C5C4H4179.9°180.0°
C5C6C7H71C90.1°89.9°
C5C6C7H72C29.8°30.0°
C5C6C7H73C149.8°150.0°
O12C5C6C70.4°0.0°
C5O12P13O1P8.8°54.9°
C5O12P13O2P131.7°175.0°
C5O12P13O3P111.4°65.0°
O12C5C4H40.6°0.0°
C7C6C1H10.2°0.3°
C6C7H71CH72C120.0°120.0°
C6C7H71CH73C120.0°120.0°
C6C7H72CH73C120.0°120.0°
O12P13O1PO2P120.3°120.0°
O12P13O1PO3P110.4°120.0°
O12P13O2PO3P106.8°120.0°
O12P13O2PHO2P123.3°180.0°
O12P13O3PHO3P90.0°60.0°
O1PP13O2PO3P130.0°120.0°
O1PP13O2PHO2P0.0°60.0°
O1PP13O3PHO3P90.0°180.0°
O2PP13O3PHO3P90.0°60.0°
O3PP13O2PHO2P129.9°59.9°
H1C1C2H20.1°0.3°
H2C2C3H30.3°0.1°
H3C3C4H40.3°0.0°
H71CC7H72CH73C120.0°120.1°

223166

PDB entries from 2024-07-31

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