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CIE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.40Å1.47ÅAromatic
C1C6sing1.40Å1.48ÅAromatic
C1C7sing1.48Å1.52Å
C2C3sing1.38Å1.47ÅAromatic
C2S11sing1.76Å1.80Å
C3C4doub1.38Å1.45ÅAromatic
C3H3sing1.08Å1.10Å
C4C5sing1.38Å1.45ÅAromatic
C4H4sing1.08Å1.10Å
C5C6doub1.38Å1.46ÅAromatic
C5H5sing1.08Å1.10Å
C6H6sing1.08Å1.10Å
C7O7doub1.21Å1.22Å
C7O8sing1.35Å1.43Å
O8C9sing1.45Å1.45Å
C9C10sing1.53Å1.52Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.12Å
C10H101sing1.09Å1.12Å
C10H102sing1.09Å1.11Å
C10H103sing1.09Å1.12Å
S11OBAdoub1.42Å1.60Å
S11OBBdoub1.42Å1.51Å
S11N12sing1.66Å1.72Å
N12C13sing1.35Å1.33Å
N12H12sing0.97Å1.02Å
C13O13doub1.21Å1.24Å
C13N14sing1.35Å1.32Å
N14C2'sing1.39Å1.31Å
N14H14sing0.97Å1.02Å
N1'C2'sing1.32Å1.34ÅAromatic
N1'C6'doub1.33Å1.35ÅAromatic
C2'N3'doub1.32Å1.37ÅAromatic
N3'C4'sing1.33Å1.40ÅAromatic
C4'CL4'sing1.74Å1.76Å
C4'C5'doub1.38Å1.45ÅAromatic
C5'C6'sing1.39Å1.48ÅAromatic
C5'H5'sing1.08Å1.10Å
C6'O7'sing1.35Å1.37Å
O7'C8'sing1.43Å1.39Å
C8'H8'1sing1.09Å1.11Å
C8'H8'2sing1.09Å1.12Å
C8'H8'3sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6116.9°119.7°
C2C1C7115.3°120.2°
C1C2C3121.3°119.9°
C1C2S11130.9°120.1°
C6C1C7127.9°120.2°
C1C6C5121.8°119.9°
C1C6H6120.1°120.1°
C1C7O7115.8°120.0°
C1C7O8105.7°120.0°
C3C2S11107.7°120.1°
C2C3C4119.8°120.2°
C2C3H3120.6°119.9°
C2S11OBA109.7°105.7°
C2S11OBB107.2°105.8°
C2S11N12105.3°107.4°
C4C3H3119.6°119.9°
C3C4C5120.6°120.3°
C3C4H4119.8°119.9°
C5C4H4119.6°119.8°
C4C5C6119.6°120.1°
C4C5H5120.0°119.9°
C6C5H5120.4°120.0°
C5C6H6118.2°120.0°
O7C7O8113.8°119.9°
C7O8C9114.0°120.0°
O8C9C10109.8°109.4°
O8C9H91112.2°109.5°
O8C9H92112.1°109.4°
C10C9H91112.1°109.5°
C10C9H92112.1°109.5°
C9C10H101109.8°109.4°
C9C10H102112.1°109.5°
C9C10H103112.1°109.5°
H91C9H9298.3°109.5°
H101C10H102112.1°109.5°
H101C10H103112.1°109.5°
H102C10H10398.4°109.5°
OBAS11OBB125.5°125.4°
OBAS11N12108.6°105.8°
OBBS11N1298.3°105.8°
S11N12C13124.1°120.0°
S11N12H12107.1°120.0°
C13N12H12107.0°120.1°
N12C13O13120.5°120.1°
N12C13N14118.5°119.9°
O13C13N14120.9°120.0°
C13N14C2'141.5°120.0°
C13N14H14110.1°120.0°
C2'N14H14108.4°120.0°
N14C2'N1'113.4°119.2°
N14C2'N3'122.5°119.2°
C2'N1'C6'120.3°120.7°
N1'C2'N3'124.1°121.7°
N1'C6'C5'121.8°119.1°
N1'C6'O7'120.2°120.4°
C2'N3'C4'118.1°120.9°
N3'C4'CL4'119.4°120.4°
N3'C4'C5'121.6°119.2°
CL4'C4'C5'119.1°120.4°
C4'C5'C6'114.1°118.5°
C4'C5'H5'122.2°120.8°
C6'C5'H5'123.6°120.7°
C5'C6'O7'118.0°120.5°
C6'O7'C8'145.7°106.8°
O7'C8'H8'1145.7°109.5°
O7'C8'H8'2100.1°109.5°
O7'C8'H8'3100.1°109.4°
H8'1C8'H8'2100.1°109.5°
H8'1C8'H8'3100.1°109.5°
H8'2C8'H8'3107.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6C7179.9°179.7°
C1C2C3S11179.9°179.4°
C1C2C3C40.1°0.6°
C1C2C3H3179.9°179.7°
C2C1C6C50.1°0.3°
C2C1C6H6179.8°179.8°
C2C1C7O7109.7°5.9°
C2C1C7O8123.4°174.1°
C1C2S11OBA148.0°52.6°
C1C2S11OBB72.7°172.6°
C1C2S11N1231.3°60.0°
C6C1C2C30.2°0.6°
C6C1C2S11179.8°180.0°
C1C6C5C40.0°0.0°
C1C6C5H6180.0°180.0°
C1C6C5H5180.0°179.9°
C6C1C7O770.2°173.8°
C6C1C7O856.7°6.2°
C7C1C2C3179.8°179.7°
C7C1C2S110.3°0.3°
C7C1C6C5179.8°180.0°
C7C1C6H60.3°0.1°
C1C7O7O8122.7°180.0°
C1C7O8C9167.6°174.8°
C2C3C4H3180.0°179.7°
C2C3C4C50.0°0.3°
C2C3C4H4179.9°179.7°
C3C2S11OBA31.9°126.9°
C3C2S11OBB107.4°8.0°
C3C2S11N12148.6°120.5°
S11C2C3C4179.9°180.0°
S11C2C3H30.2°0.3°
C2S11OBAOBB130.0°123.1°
C2S11OBAN12114.7°113.7°
C2S11OBBN12109.0°113.7°
C2S11N12C1367.6°64.3°
C2S11N12H1257.7°115.7°
C3C4C5H4180.0°180.0°
C3C4C5C60.0°0.0°
C3C4C5H5180.0°179.9°
H3C3C4C5180.0°180.0°
H3C3C4H40.0°0.0°
C4C5C6H5180.0°179.9°
C4C5C6H6179.9°179.9°
H4C4C5C6179.9°180.0°
H4C4C5H50.1°0.1°
H5C5C6H60.1°0.0°
O7C7O8C964.3°5.2°
C7O8C9C10179.3°175.2°
C7O8C9H9154.1°64.8°
C7O8C9H9255.4°55.2°
O8C9C10H91125.3°120.0°
O8C9C10H92125.3°119.9°
O8C9H91H92118.0°120.0°
O8C9C10H101180.0°175.0°
O8C9C10H10254.8°65.0°
O8C9C10H10354.8°55.1°
C10C9H91H92117.9°120.0°
C9C10H101H102125.2°120.0°
C9C10H101H103125.3°120.0°
C9C10H102H103118.1°120.1°
H91C9C10H10154.7°65.0°
H91C9C10H102179.9°55.0°
H91C9C10H10370.5°175.1°
H92C9C10H10154.7°55.1°
H92C9C10H10270.5°175.0°
H92C9C10H103179.9°64.9°
H101C10H102H103118.0°120.0°
OBAS11OBBN12120.0°123.2°
OBAS11N12C1349.9°176.9°
OBAS11N12H12175.2°3.1°
OBBS11N12C13178.1°48.3°
OBBS11N12H1252.8°131.7°
S11N12C13H12125.3°180.0°
S11N12C13O130.1°5.3°
S11N12C13N14179.4°174.6°
N12C13O13N14179.2°180.0°
N12C13N14C2'178.3°173.7°
N12C13N14H141.7°6.3°
H12N12C13O13125.2°174.6°
H12N12C13N1454.1°5.4°
O13C13N14C2'0.9°6.3°
O13C13N14H14179.1°173.6°
C13N14C2'H14180.0°180.0°
C13N14C2'N1'0.3°174.3°
C13N14C2'N3'179.7°5.9°
N14C2'N1'N3'180.0°179.8°
N14C2'N1'C6'179.8°179.7°
N14C2'N3'C4'179.7°180.0°
H14N14C2'N1'179.7°5.7°
H14N14C2'N3'0.2°174.1°
N1'C2'N3'C4'0.2°0.2°
C2'N1'C6'C5'0.2°0.6°
C2'N1'C6'O7'179.9°179.7°
C6'N1'C2'N3'0.2°0.6°
N1'C6'C5'C4'0.1°0.3°
N1'C6'C5'O7'179.8°179.7°
N1'C6'C5'H5'179.9°179.7°
N1'C6'O7'C8'179.6°0.3°
C2'N3'C4'CL4'179.7°180.0°
C2'N3'C4'C5'0.2°0.0°
N3'C4'CL4'C5'179.9°180.0°
N3'C4'C5'C6'0.1°0.0°
N3'C4'C5'H5'179.9°180.0°
CL4'C4'C5'C6'179.8°180.0°
CL4'C4'C5'H5'0.2°0.0°
C4'C5'C6'H5'180.0°180.0°
C4'C5'C6'O7'179.9°180.0°
C5'C6'O7'C8'0.2°179.9°
H5'C5'C6'O7'0.1°0.0°
C6'O7'C8'H8'1180.0°180.0°
C6'O7'C8'H8'254.7°59.9°
C6'O7'C8'H8'354.7°60.0°
O7'C8'H8'1H8'2125.2°120.0°
O7'C8'H8'1H8'3125.3°119.9°
O7'C8'H8'2H8'3103.9°119.9°
H8'1C8'H8'2H8'3103.9°120.1°

225158

PDB entries from 2024-09-18

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