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SummaryGeometryRelated PDB entries

JDE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
N19C18doub1.32Å1.33ÅAromatic
N19C20sing1.32Å1.32ÅAromatic
C18C17sing1.39Å1.39ÅAromatic
O02C01sing1.43Å1.46Å
O02C03sing1.36Å1.37Å
C20C21doub1.38Å1.40ÅAromatic
C23C03doub1.38Å1.45ÅAromatic
C23C16sing1.39Å1.39ÅAromatic
C03C04sing1.39Å1.33ÅAromatic
C17C16sing1.48Å1.54Å
C17C22doub1.40Å1.42ÅAromatic
C16C15doub1.39Å1.34ÅAromatic
C21C22sing1.38Å1.41ÅAromatic
C04C05doub1.38Å1.42ÅAromatic
C15C05sing1.38Å1.43ÅAromatic
C05C06sing1.51Å1.49Å
C06O07sing1.45Å1.43Å
O07C08sing1.35Å1.44Å
C10C09sing1.41Å1.33ÅAromatic
C10N11doub1.30Å1.35ÅAromatic
C08C09sing1.47Å1.53Å
C08O14doub1.21Å1.26Å
C09C13doub1.38Å1.40ÅAromatic
N11N12sing1.40Å1.33ÅAromatic
C13N12sing1.34Å1.34ÅAromatic
C10H1sing1.08Å1.08Å
N12H2sing0.97Å1.00Å
C13H3sing1.08Å1.08Å
C15H4sing1.08Å1.08Å
C20H5sing1.08Å1.08Å
C21H6sing1.08Å1.08Å
C22H7sing1.08Å1.08Å
C01H8sing1.09Å1.10Å
C01H9sing1.09Å1.10Å
C01H10sing1.09Å1.10Å
C04H11sing1.08Å1.08Å
C06H12sing1.09Å1.10Å
C06H13sing1.09Å1.10Å
C18H14sing1.08Å1.08Å
C23H15sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C18N19C20121.8°121.8°
N19C18C17120.8°120.6°
N19C18H14119.6°119.7°
N19C20C21121.5°121.1°
N19C20H5119.3°119.4°
C18C17C16120.6°120.5°
C18C17C22119.2°118.9°
C17C18H14119.6°119.7°
C01O02C03117.0°117.0°
O02C01H8109.5°109.4°
O02C01H9109.4°109.4°
O02C01H10109.4°109.5°
O02C03C23117.8°120.0°
O02C03C04122.4°120.0°
C20C21C22118.7°119.3°
C21C20H5119.3°119.5°
C20C21H6120.7°120.4°
C03C23C16120.3°119.8°
C23C03C04119.8°120.0°
C03C23H15119.8°120.1°
C23C16C17120.7°120.1°
C23C16C15119.9°119.8°
C16C23H15119.9°120.1°
C03C04C05119.6°120.2°
C03C04H11120.1°119.9°
C16C17C22120.2°120.5°
C17C16C15119.4°120.1°
C17C22C21118.0°118.3°
C17C22H7121.0°120.9°
C16C15C05120.5°120.0°
C16C15H4119.7°119.9°
C22C21H6120.7°120.4°
C21C22H7121.0°120.8°
C04C05C15119.8°120.2°
C04C05C06122.2°119.9°
C05C04H11120.2°119.9°
C15C05C06118.0°119.9°
C05C15H4119.7°120.0°
C05C06O07111.3°109.4°
C05C06H12109.0°109.5°
C05C06H13109.0°109.5°
C06O07C08118.0°117.0°
O07C06H12109.0°109.5°
O07C06H13109.0°109.5°
O07C08C09118.0°120.0°
O07C08O14122.0°120.1°
C09C10N11106.5°108.0°
C10C09C08126.9°126.4°
C10C09C13107.8°107.1°
C09C10H1126.8°126.0°
C10N11N12111.2°108.9°
N11C10H1126.8°126.0°
C09C08O14119.9°120.0°
C08C09C13125.3°126.4°
C09C13N12107.4°107.4°
C09C13H3126.3°126.3°
N11N12C13107.2°108.6°
N11N12H2126.4°125.7°
C13N12H2126.4°125.7°
N12C13H3126.3°126.3°
H8C01H9109.5°109.4°
H8C01H10109.5°109.5°
H9C01H10109.5°109.5°
H12C06H13109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
N19C18C17H14180.0°180.0°
C18N19C20C210.0°0.4°
N19C18C17C16179.7°180.0°
N19C18C17C220.0°0.3°
C18N19C20H5180.0°180.0°
C20N19C18C170.1°0.0°
N19C20C21H5180.0°179.6°
N19C20C21C220.1°0.4°
N19C20C21H6179.9°179.7°
C20N19C18H14179.9°180.0°
C18C17C16C2328.6°179.7°
C18C17C16C22179.7°179.8°
C18C17C16C15150.7°0.3°
C18C17C22C210.2°0.2°
C18C17C22H7179.8°179.7°
C01O02C03C23154.3°0.6°
C01O02C03C0426.2°180.0°
O02C01H8H9120.0°119.9°
O02C01H8H10120.0°120.1°
O02C01H9H10120.0°120.0°
O02C03C23C04179.5°179.4°
O02C03C23C16179.9°179.6°
O02C03C04C05179.1°179.9°
C03O02C01H8180.0°60.1°
C03O02C01H960.0°180.0°
C03O02C01H1060.0°60.0°
O02C03C04H110.9°0.0°
O02C03C23H150.1°0.6°
C20C21C22C170.2°0.1°
C20C21C22H6180.0°179.9°
C20C21C22H7179.8°180.0°
C03C23C16H15180.0°179.8°
C03C23C16C17179.8°179.9°
C03C23C16C150.9°0.0°
C23C03C04C050.3°0.5°
C23C03C04H11179.7°179.4°
C16C23C03C040.6°0.2°
C23C16C17C15179.4°180.0°
C23C16C17C22151.7°0.0°
C23C16C15C050.2°0.0°
C23C16C15H4179.8°179.7°
C03C04C05H11180.0°180.0°
C03C04C05C151.0°0.6°
C03C04C05C06179.8°179.5°
C04C03C23H15179.4°180.0°
C16C17C22C21179.9°180.0°
C17C16C15C05179.6°180.0°
C17C16C15H40.4°0.3°
C16C17C22H70.1°0.1°
C16C17C18H140.3°0.0°
C17C16C23H150.2°0.3°
C22C17C16C1529.0°180.0°
C17C22C21H7180.0°179.9°
C17C22C21H6179.8°180.0°
C22C17C18H14180.0°179.7°
C16C15C05C040.7°0.3°
C16C15C05H4180.0°179.7°
C16C15C05C06180.0°179.7°
C15C16C23H15179.1°179.8°
C22C21C20H5179.9°180.0°
C04C05C15C06179.2°180.0°
C04C05C06O0780.5°90.0°
C04C05C15H4179.3°180.0°
C04C05C06H1239.8°30.0°
C04C05C06H13159.3°150.0°
C15C05C06O07100.3°90.0°
C15C05C04H11179.0°179.4°
C15C05C06H12139.4°150.0°
C15C05C06H1319.9°29.9°
C05C06O07H12120.3°120.0°
C05C06O07H13120.3°120.0°
C05C06O07C0890.1°180.0°
C06C05C15H40.0°0.0°
C06C05C04H110.2°0.6°
C05C06H12H13119.1°120.0°
C06O07C08C09178.9°180.0°
C06O07C08O142.7°0.0°
O07C06H12H13119.2°120.0°
O07C08C09C10169.9°0.1°
O07C08C09O14178.4°180.0°
O07C08C09C1310.6°179.9°
C08O07C06H12149.6°60.0°
C08O07C06H1330.1°60.0°
C09C10N11H1180.0°179.7°
C10C09C08C13179.5°179.8°
C10C09C08O148.6°179.9°
C09C10N11N121.2°0.1°
C10C09C13N120.1°0.1°
C10C09C13H3179.9°180.0°
N11C10C09C08179.7°179.9°
N11C10C09C130.8°0.1°
C10N11N12C131.1°0.0°
C10N11N12H2178.9°180.0°
C08C09C13N12179.7°179.9°
C08C09C10H10.4°0.4°
C08C09C13H30.3°0.1°
O14C08C09C13171.0°0.1°
C09C13N12N110.6°0.0°
C09C13N12H3180.0°179.9°
C13C09C10H1179.2°179.7°
C09C13N12H2179.5°179.9°
N11N12C13H2180.0°180.0°
N12N11C10H1178.8°179.7°
N11N12C13H3179.4°180.0°
H2N12C13H30.5°0.0°
H5C20C21H60.1°0.2°
H6C21C22H70.2°0.2°
H8C01H9H10120.0°120.0°

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PDB entries from 2024-07-17

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