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SummaryGeometryRelated PDB entries

A1JE4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C01C02sing1.51Å1.50Å
C02C03doub1.35Å1.38ÅAromatic
C02N02sing1.35Å1.41ÅAromatic
C03C04sing1.51Å1.53Å
C03C09sing1.40Å1.37ÅAromatic
C04C05sing1.55Å1.57Å
C04C08sing1.51Å1.51Å
C05C06sing1.55Å1.53Å
C06O01sing1.43Å1.45Å
C06C07sing1.51Å1.51Å
C07C08doub1.30Å1.36Å
C09C10sing1.51Å1.52Å
C09N01doub1.31Å1.41ÅAromatic
N01N02sing1.40Å1.37ÅAromatic
C10H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C10H13sing1.09Å1.10Å
C01H01sing1.09Å1.10Å
C01H03sing1.09Å1.10Å
C01H02sing1.09Å1.10Å
C04H04sing1.09Å1.10Å
C05H05sing1.09Å1.10Å
C05H06sing1.09Å1.10Å
C06H07sing1.09Å1.10Å
C07H09sing1.08Å1.08Å
C08H10sing1.08Å1.08Å
N02H14sing0.97Å1.00Å
O01H08sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01C02C03130.7°126.1°
C01C02N02116.7°126.1°
C02C01H01109.5°109.5°
C02C01H03109.5°109.4°
C02C01H02109.5°109.4°
C03C02N02112.5°107.7°
C02C03C04128.9°126.1°
C02C03C09101.7°107.9°
C02N02N01106.7°107.9°
C02N02H14126.7°126.0°
C04C03C09129.5°126.0°
C03C04C05114.5°110.4°
C03C04C08112.6°110.5°
C03C04H04109.7°110.3°
C03C09C10127.6°125.9°
C03C09N01114.1°108.2°
C05C04C08100.4°104.7°
C04C05C06105.9°101.4°
C05C04H04109.3°110.3°
C04C05H05110.4°111.0°
C04C05H06110.4°111.0°
C04C08C07112.6°111.2°
C08C04H04110.0°110.5°
C04C08H10123.7°124.4°
C05C06O01110.6°110.4°
C05C06C07102.4°104.7°
C06C05H05110.4°111.1°
C06C05H06110.4°111.0°
C05C06H07110.8°110.4°
O01C06C07109.3°110.4°
O01C06H07112.1°110.4°
C06O01H08109.5°114.0°
C06C07C08110.6°111.1°
C07C06H07111.2°110.5°
C06C07H09124.7°124.4°
C08C07H09124.7°124.5°
C07C08H10123.8°124.4°
C10C09N01118.3°125.9°
C09C10H11109.5°109.5°
C09C10H12109.4°109.5°
C09C10H13109.5°109.5°
C09N01N02105.0°108.2°
N01N02H14126.7°126.1°
H11C10H12109.5°109.5°
H11C10H13109.5°109.5°
H12C10H13109.5°109.4°
H01C01H03109.5°109.5°
H01C01H02109.5°109.5°
H03C01H02109.4°109.5°
H05C05H06109.4°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01C02C03N02178.4°179.8°
C01C02C03C042.6°0.1°
C01C02C03C09177.9°180.0°
C01C02N02N01176.9°179.9°
C02C01H01H03120.0°120.0°
C02C01H01H02120.0°120.0°
C02C01H03H02120.0°119.9°
C01C02N02H143.2°0.0°
C02C03C04C09179.3°179.9°
C02C03C04C0565.7°120.0°
C02C03C04C0848.1°124.7°
C02C03C09C10178.8°180.0°
C02C03C09N010.9°0.0°
C03C02N02N011.8°0.3°
C03C02C01H0191.0°90.0°
C03C02C01H03149.0°150.1°
C03C02C01H0229.0°30.1°
C02C03C04H04170.9°2.2°
C03C02N02H14178.2°179.8°
N02C02C03C04178.9°179.7°
N02C02C03C090.6°0.2°
C02N02N01C092.2°0.3°
C02N02N01H14180.0°179.9°
N02C02C01H0190.6°90.3°
N02C02C01H0329.4°29.7°
N02C02C01H02149.4°149.7°
C03C04C05C08120.8°118.9°
C03C04C05H04123.6°122.2°
C03C04C08H04122.7°122.4°
C03C04C05C06147.7°143.5°
C03C04C08C07139.0°135.3°
C04C03C09C100.7°0.1°
C04C03C09N01179.6°179.9°
C03C04C05H0528.3°25.4°
C03C04C05H0692.8°98.5°
C03C04C08H1041.0°44.8°
C09C03C04C05115.0°60.1°
C09C03C04C08131.3°55.3°
C03C09C10N01179.7°180.0°
C03C09N01N022.0°0.2°
C03C09C10H11179.7°90.0°
C03C09C10H1259.7°150.0°
C03C09C10H1360.3°30.0°
C09C03C04H048.4°177.7°
C05C04C08H04115.1°118.8°
C04C05C06H05119.5°118.1°
C04C05C06H06119.4°118.0°
C04C05C06O01144.0°143.4°
C04C05C06C0727.6°24.6°
C05C04C08C0716.8°16.4°
C04C05H05H06121.6°124.0°
C04C05C06H0791.1°94.3°
C05C04C08H10163.2°163.6°
C08C04C05C0626.9°24.6°
C04C08C07C060.3°0.0°
C04C08C07H10180.0°180.0°
C08C04C05H0592.5°93.5°
C08C04C05H06146.4°142.6°
C04C08C07H09179.7°179.9°
C05C06O01C07112.1°115.3°
C05C06O01H07124.2°122.4°
C05C06C07H07118.4°118.9°
C05C06C07C0817.7°16.4°
C06C05C04H0488.7°94.3°
C06C05H05H06121.7°123.9°
C05C06C07H09162.3°163.5°
C05C06O01H08180.0°180.0°
O01C06C07H07124.3°122.3°
O01C06C07C08135.1°135.2°
O01C06C05H0524.5°25.3°
O01C06C05H0696.6°98.6°
O01C06C07H0945.0°44.7°
C06C07C08H09180.0°179.9°
C07C06C05H0591.9°93.4°
C07C06C05H06147.0°142.7°
C06C07C08H10179.7°180.0°
C07C06O01H0867.9°64.7°
C07C08C04H0498.3°102.4°
C08C07C06H07100.7°102.5°
C10C09N01N02177.7°179.8°
C09C10H11H12120.0°120.0°
C09C10H11H13120.0°120.0°
C09C10H12H13120.0°120.0°
N01C09C10H110.0°90.0°
N01C09C10H12120.0°30.0°
N01C09C10H13120.0°150.0°
C09N01N02H14177.8°179.8°
H11C10H12H13120.0°120.0°
H01C01H03H02120.0°120.1°
H04C04C05H05151.8°147.7°
H04C04C05H0630.7°23.7°
H04C04C08H1081.7°77.6°
H05C05C06H07149.5°147.7°
H06C05C06H0728.4°23.8°
H07C06C07H0979.3°77.6°
H07C06O01H0855.8°57.6°
H09C07C08H100.3°0.1°

249697

PDB entries from 2026-02-25

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