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SummaryGeometryRelated PDB entries

CBC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
F49C46sing1.40Å1.33Å
C46F50sing1.40Å1.32Å
C46F51sing1.40Å1.32Å
C46C41sing1.51Å1.52Å
C41C42doub1.38Å1.40ÅAromatic
C41C40sing1.38Å1.41ÅAromatic
C42C43sing1.38Å1.39ÅAromatic
C42H42sing1.08Å1.08Å
C43C44doub1.38Å1.39ÅAromatic
C43H43sing1.08Å1.08Å
C44C45sing1.38Å1.40ÅAromatic
C44H44sing1.08Å1.08Å
C45C40doub1.38Å1.40ÅAromatic
C45H45sing1.08Å1.08Å
C40S1sing1.76Å1.62Å
S1O38doub1.42Å1.43Å
S1O39doub1.42Å1.44Å
S1N33sing1.66Å1.61Å
N33N32sing1.40Å1.39Å
N33H33sing0.97Å1.00Å
N32C39sing1.35Å1.33Å
N32H32sing0.97Å1.00Å
C39O37doub1.22Å1.22Å
C39C54sing1.47Å1.49Å
C54C53doub1.36Å1.40ÅAromatic
C54O40sing1.35Å1.38ÅAromatic
C53C50sing1.46Å1.44ÅAromatic
C53H53sing1.08Å1.08Å
O40C51sing1.35Å1.41ÅAromatic
C51C50sing1.41Å1.37ÅAromatic
C51C52doub1.39Å1.39ÅAromatic
C50C49doub1.40Å1.39ÅAromatic
C49C48sing1.37Å1.40ÅAromatic
C49H49sing1.08Å1.08Å
C52C47sing1.38Å1.39ÅAromatic
C52H52sing1.08Å1.08Å
C47C48doub1.39Å1.40ÅAromatic
C47H47sing1.08Å1.08Å
C48CL1sing1.74Å1.79Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
F49C46F50109.7°109.4°
F49C46F51108.3°109.4°
F49C46C41110.7°109.4°
F50C46F51108.5°109.5°
F50C46C41110.5°109.5°
F51C46C41109.2°109.5°
C46C41C42115.7°119.9°
C46C41C40125.0°120.0°
C42C41C40119.3°120.0°
C41C42C43122.3°120.0°
C41C42H42118.8°120.0°
C41C40C45117.6°120.0°
C41C40S1126.5°120.0°
C43C42H42118.8°120.0°
C42C43C44118.6°120.0°
C42C43H43120.7°120.0°
C44C43H43120.7°120.0°
C43C44C45119.6°120.0°
C43C44H44120.2°120.0°
C45C44H44120.2°120.0°
C44C45C40122.5°120.0°
C44C45H45118.8°120.0°
C40C45H45118.8°119.9°
C45C40S1115.9°120.0°
C40S1O38109.7°105.7°
C40S1O39112.9°105.8°
C40S1N33108.0°107.4°
O38S1O39109.2°125.3°
O38S1N33105.8°105.8°
O39S1N33111.1°105.8°
S1N33N32118.8°120.0°
S1N33H33106.5°120.0°
N32N33H33106.5°120.0°
N33N32C39120.3°120.0°
N33N32H32119.8°120.0°
C39N32H32119.9°120.0°
N32C39O37122.7°120.0°
N32C39C54117.1°120.0°
O37C39C54120.0°120.0°
C39C54C53132.5°125.2°
C39C54O40115.8°125.1°
C53C54O40111.7°109.7°
C54C53C50103.7°106.1°
C54C53H53128.1°126.9°
C54O40C51106.6°110.9°
C50C53H53128.1°127.0°
C53C50C51109.7°105.7°
C53C50C49130.5°134.2°
O40C51C50108.3°107.6°
O40C51C52128.0°133.3°
C50C51C52123.7°119.2°
C51C50C49119.8°120.1°
C51C52C47116.8°119.9°
C51C52H52121.6°120.1°
C50C49C48117.8°119.7°
C50C49H49121.1°120.2°
C48C49H49121.1°120.1°
C49C48C47121.8°120.4°
C49C48CL1119.5°119.8°
C47C52H52121.6°120.1°
C52C47C48120.1°120.7°
C52C47H47119.9°119.6°
C48C47H47119.9°119.7°
C47C48CL1118.7°119.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
F49C46F50F51118.1°120.0°
F49C46F50C41122.3°119.9°
F49C46F51C41120.6°120.0°
F49C46C41C42109.5°113.8°
F49C46C41C4069.9°66.0°
F50C46F51C41120.4°120.0°
F50C46C41C42128.7°126.3°
F50C46C41C4051.8°53.9°
F51C46C41C429.5°6.2°
F51C46C41C40171.0°174.0°
C46C41C42C40179.5°179.8°
C46C41C42C43180.0°180.0°
C46C41C42H420.0°0.1°
C46C41C40C45179.9°179.8°
C46C41C40S10.8°0.2°
C41C42C43H42180.0°180.0°
C41C42C43C440.2°0.0°
C41C42C43H43179.8°180.0°
C42C41C40C450.7°0.4°
C42C41C40S1179.8°180.0°
C40C41C42C430.5°0.2°
C40C41C42H42179.5°179.7°
C41C40C45C440.5°0.4°
C41C40C45S1179.2°179.6°
C41C40C45H45179.5°179.7°
C41C40S1O38145.0°47.1°
C41C40S1O3923.0°178.1°
C41C40S1N33100.2°65.5°
C42C43C44H43180.0°180.0°
C42C43C44C450.1°0.0°
C42C43C44H44180.0°179.9°
H42C42C43C44179.8°180.0°
H42C42C43H430.2°0.1°
C43C44C45H44180.0°180.0°
C43C44C45C400.2°0.2°
C43C44C45H45179.8°180.0°
H43C43C44C45179.9°180.0°
H43C43C44H440.0°0.0°
C44C45C40H45180.0°179.8°
C44C45C40S1179.8°180.0°
H44C44C45C40179.8°179.8°
H44C44C45H450.2°0.0°
C45C40S1O3835.9°133.3°
C45C40S1O39157.8°1.5°
C45C40S1N3378.9°114.1°
H45C45C40S10.3°0.2°
C40S1O38O39124.2°123.1°
C40S1O38N33116.2°113.8°
C40S1O39N33121.5°113.8°
C40S1N33N3269.0°59.7°
C40S1N33H3351.0°120.3°
O38S1O39N33116.3°123.1°
O38S1N33N32173.7°172.3°
O38S1N33H3366.3°7.7°
O39S1N33N3255.3°53.0°
O39S1N33H33175.3°127.1°
S1N33N32H33120.0°180.0°
S1N33N32C39105.7°125.0°
S1N33N32H3274.4°54.9°
N33N32C39H32180.0°179.9°
N33N32C39O375.7°0.0°
N33N32C39C54170.0°180.0°
H33N33N32C39134.3°55.0°
H33N33N32H3245.6°125.0°
N32C39O37C54175.6°180.0°
N32C39C54C530.6°179.7°
N32C39C54O40177.8°0.0°
H32N32C39O37174.3°180.0°
H32N32C39C549.9°0.1°
O37C39C54C53175.2°0.3°
O37C39C54O402.0°180.0°
C39C54C53O40177.3°179.7°
C39C54C53C50177.9°179.9°
C39C54C53H532.1°0.1°
C39C54O40C51178.2°180.0°
C54C53C50H53180.0°179.9°
C53C54O40C510.4°0.3°
C54C53C50C510.6°0.4°
C54C53C50C49180.0°179.9°
O40C54C53C500.6°0.4°
O40C54C53H53179.4°179.7°
C54O40C51C500.1°0.0°
C54O40C51C52180.0°180.0°
C53C50C51O400.3°0.2°
C53C50C51C49179.5°179.7°
C53C50C51C52179.6°179.8°
C53C50C49C48179.7°179.7°
C53C50C49H490.3°0.4°
H53C53C50C51179.4°179.7°
H53C53C50C490.0°0.0°
O40C51C50C52180.0°180.0°
O40C51C50C49179.8°180.0°
O40C51C52C47179.7°180.0°
O40C51C52H520.3°0.0°
C51C50C49C480.4°0.0°
C51C50C49H49179.6°180.0°
C50C51C52C470.3°0.0°
C50C51C52H52179.7°180.0°
C52C51C50C490.1°0.0°
C51C52C47H52180.0°179.9°
C51C52C47C480.6°0.0°
C51C52C47H47179.4°180.0°
C50C49C48H49180.0°180.0°
C50C49C48C470.1°0.0°
C50C49C48CL1180.0°180.0°
C49C48C47C520.4°0.0°
C49C48C47CL1179.9°180.0°
C49C48C47H47179.6°180.0°
H49C49C48C47179.9°180.0°
H49C49C48CL10.1°0.0°
C52C47C48H47180.0°179.9°
C52C47C48CL1179.6°180.0°
H52C52C47C48179.4°180.0°
H52C52C47H470.6°0.1°
H47C47C48CL10.4°0.1°

223532

PDB entries from 2024-08-07

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