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EPE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.47Å1.51Å
N1C6sing1.47Å1.51Å
N1C9sing1.47Å1.50Å
C2C3sing1.53Å1.52Å
C2H21sing1.09Å1.11Å
C2H22sing1.09Å1.12Å
C3N4sing1.47Å1.47Å
C3H31sing1.09Å1.11Å
C3H32sing1.09Å1.11Å
N4C5sing1.47Å1.48Å
N4C7sing1.47Å1.49Å
C5C6sing1.53Å1.53Å
C5H51sing1.09Å1.11Å
C5H52sing1.09Å1.12Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.12Å
C7C8sing1.53Å1.51Å
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.12Å
C8O8sing1.43Å1.42Å
C8H81sing1.09Å1.11Å
C8H82sing1.09Å1.11Å
O8HO8sing0.97Å0.95Å
C9C10sing1.53Å1.55Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.11Å
C10Ssing1.81Å1.80Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.12Å
SO1Sdoub1.42Å1.44Å
SO2Sdoub1.42Å1.47Å
SO3Ssing1.52Å1.44Å
O3SHOS3sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6107.8°106.9°
C2N1C9111.3°106.7°
N1C2C3108.1°109.7°
N1C2H21112.8°109.4°
N1C2H22112.7°109.4°
C6N1C9106.4°106.7°
N1C6C5108.2°109.7°
N1C6H61112.7°109.4°
N1C6H62112.7°109.5°
N1C9C10109.5°109.5°
N1C9H91112.2°109.5°
N1C9H92112.2°109.5°
C3C2H21112.7°109.5°
C3C2H22112.7°109.5°
C2C3N4110.9°109.7°
C2C3H31111.7°109.5°
C2C3H32111.7°109.4°
H21C2H2297.7°109.4°
N4C3H31111.6°109.5°
N4C3H32111.6°109.4°
C3N4C5109.2°106.9°
C3N4C7113.4°106.7°
H31C3H3298.8°109.4°
C5N4C7106.4°106.7°
N4C5C6110.6°109.7°
N4C5H51111.8°109.5°
N4C5H52111.8°109.4°
N4C7C8113.1°109.5°
N4C7H71110.9°109.4°
N4C7H72110.9°109.5°
C6C5H51111.8°109.4°
C6C5H52111.8°109.5°
C5C6H61112.7°109.4°
C5C6H62112.7°109.5°
H51C5H5298.6°109.4°
H61C6H6297.7°109.4°
C8C7H71110.9°109.5°
C8C7H72110.9°109.5°
C7C8O8114.2°109.5°
C7C8H81110.4°109.5°
C7C8H82110.4°109.4°
H71C7H7299.4°109.5°
O8C8H81110.5°109.5°
O8C8H82110.5°109.5°
C8O8HO8114.2°106.8°
H81C8H8299.8°109.5°
C10C9H91112.2°109.4°
C10C9H92112.2°109.5°
C9C10S108.8°109.6°
C9C10H101112.4°109.5°
C9C10H102112.4°109.6°
H91C9H9298.2°109.5°
SC10H101112.4°109.5°
SC10H102112.4°109.4°
C10SO1S106.1°111.7°
C10SO2S106.7°111.6°
C10SO3S105.4°103.2°
H101C10H10298.1°109.4°
O1SSO2S112.7°122.1°
O1SSO3S112.4°102.9°
O2SSO3S112.9°102.8°
SO3SHOS3105.4°106.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1C6C9119.5°113.9°
N1C2C3H21125.3°120.1°
N1C2C3H22125.2°120.0°
N1C2H21H22118.7°119.9°
N1C2C3N461.4°63.0°
N1C2C3H3163.8°57.2°
N1C2C3H32173.3°177.0°
C2N1C6C562.3°61.2°
C2N1C6H6162.9°178.8°
C2N1C6H62172.4°58.9°
C2N1C9C1074.9°180.0°
C2N1C9H91159.8°60.0°
C2N1C9H9250.4°60.0°
C6N1C2C362.3°61.2°
C6N1C2H21172.4°178.7°
C6N1C2H2263.0°58.8°
N1C6C5N461.0°63.0°
N1C6C5H61125.3°120.0°
N1C6C5H62125.3°120.1°
N1C6C5H5164.3°177.0°
N1C6C5H52173.8°57.1°
N1C6H61H62118.7°119.9°
C6N1C9C10167.9°66.1°
C6N1C9H9142.6°174.0°
C6N1C9H9266.8°54.0°
C9N1C2C3178.6°175.1°
C9N1C2H2156.2°64.8°
C9N1C2H2253.3°55.0°
C9N1C6C5178.2°175.1°
C9N1C6H6156.5°64.9°
C9N1C6H6253.0°55.0°
N1C9C10H91125.3°120.0°
N1C9C10H92125.3°120.1°
N1C9H91H92118.1°120.0°
N1C9C10S172.2°180.0°
N1C9C10H10162.5°60.0°
N1C9C10H10247.0°59.9°
C3C2H21H22118.6°119.9°
C2C3N4H31125.3°120.1°
C2C3N4H32125.3°120.0°
C2C3H31H32117.6°119.9°
C2C3N4C559.1°61.2°
C2C3N4C7177.5°175.1°
H21C2C3N4173.3°177.0°
H21C2C3H3161.5°62.9°
H21C2C3H3248.1°56.9°
H22C2C3N463.8°57.1°
H22C2C3H31171.0°177.2°
H22C2C3H3261.4°63.0°
N4C3H31H32117.5°119.9°
C3N4C5C7122.7°113.9°
C3N4C5C658.8°61.2°
C3N4C5H5166.4°178.7°
C3N4C5H52175.9°58.8°
C3N4C7C853.7°180.0°
C3N4C7H71179.0°60.0°
C3N4C7H7271.6°60.0°
H31C3N4C566.2°58.9°
H31C3N4C752.2°55.0°
H32C3N4C5175.7°178.8°
H32C3N4C757.3°64.9°
N4C5C6H51125.3°120.1°
N4C5C6H52125.3°120.0°
N4C5H51H52117.7°119.9°
N4C5C6H6164.3°177.0°
N4C5C6H62173.8°57.1°
C5N4C7C8173.7°66.0°
C5N4C7H7161.0°54.0°
C5N4C7H7248.4°174.0°
C7N4C5C6178.5°175.1°
C7N4C5H5156.3°64.9°
C7N4C5H5253.2°55.0°
N4C7C8H71125.3°119.9°
N4C7C8H72125.3°120.1°
N4C7H71H72116.7°120.0°
N4C7C8O858.7°60.0°
N4C7C8H81176.1°60.0°
N4C7C8H8266.6°180.0°
C6C5H51H52117.7°119.9°
C5C6H61H62118.6°119.9°
H51C5C6H61170.4°57.0°
H51C5C6H6260.9°63.0°
H52C5C6H6160.9°62.9°
H52C5C6H6248.5°177.2°
C8C7H71H72116.8°120.0°
C7C8O8H81125.2°120.0°
C7C8O8H82125.3°120.0°
C7C8H81H82116.3°120.0°
C7C8O8HO8180.0°180.0°
H71C7C8O866.6°180.0°
H71C7C8H8158.7°60.0°
H71C7C8H82168.2°60.0°
H72C7C8O8176.0°60.0°
H72C7C8H8150.7°180.0°
H72C7C8H8258.7°60.0°
O8C8H81H82116.4°120.0°
H81C8O8HO854.8°60.0°
H82C8O8HO854.8°60.0°
C10C9H91H92118.1°119.9°
C9C10SH101125.2°120.1°
C9C10SH102125.2°120.1°
C9C10H101H102118.4°120.0°
C9C10SO1S176.1°70.2°
C9C10SO2S63.5°70.2°
C9C10SO3S56.8°179.9°
H91C9C10S47.0°60.0°
H91C9C10H101172.2°180.0°
H91C9C10H10278.2°60.1°
H92C9C10S62.5°60.0°
H92C9C10H10162.7°60.1°
H92C9C10H102172.3°180.0°
SC10H101H102118.4°119.9°
C10SO1SO2S116.4°135.7°
C10SO1SO3S114.6°110.1°
C10SO2SO3S115.3°110.0°
C10SO3SHOS3180.0°180.0°
H101C10SO1S58.7°169.7°
H101C10SO2S61.7°49.8°
H101C10SO3S178.0°59.9°
H102C10SO1S50.9°49.9°
H102C10SO2S171.3°169.6°
H102C10SO3S68.5°59.9°
O1SSO2SO3S128.7°114.3°
O1SSO3SHOS365.0°63.7°
O2SSO3SHOS363.9°63.9°

217705

PDB entries from 2024-03-27

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