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SummaryGeometryRelated PDB entries

LS5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
N1C2sing1.34Å1.35Å
N1C8sing1.39Å1.38Å
N1H1Nsing0.97Å1.02Å
C2C3sing1.47Å1.48Å
C2O11doub1.22Å1.22Å
C3C9sing1.48Å1.45Å
C3C12doub1.36Å1.35Å
C4C5doub1.38Å1.42ÅAromatic
C4C9sing1.39Å1.42ÅAromatic
C4H41sing1.08Å1.10Å
C5C6sing1.39Å1.41ÅAromatic
C5H51sing1.08Å1.10Å
C6C7doub1.38Å1.41ÅAromatic
C6H61sing1.08Å1.10Å
C7C8sing1.39Å1.41ÅAromatic
C7H71sing1.08Å1.10Å
C8C9doub1.40Å1.37ÅAromatic
C12N17sing1.36Å1.48Å
C12H121sing1.08Å1.10Å
N17C20sing1.40Å1.35Å
N17H17Nsing0.97Å1.02Å
C20C21doub1.39Å1.40ÅAromatic
C20C25sing1.39Å1.41ÅAromatic
C21C22sing1.38Å1.40ÅAromatic
C21H211sing1.08Å1.10Å
C22C23doub1.38Å1.40ÅAromatic
C22H221sing1.08Å1.10Å
C23C24sing1.38Å1.40ÅAromatic
C23S30sing1.76Å1.78Å
C24C25doub1.38Å1.39ÅAromatic
C24H241sing1.08Å1.10Å
C25H251sing1.08Å1.10Å
S30O31doub1.42Å1.44Å
S30O32doub1.42Å1.42Å
S30N33sing1.66Å1.64Å
N33C35sing1.37Å1.40Å
N33H33Nsing0.97Å1.02Å
C35N36doub1.30Å1.35Å
C35N37sing1.37Å1.34Å
N36H36Nsing0.97Å1.02Å
N37H371sing0.97Å1.02Å
N37H372sing0.97Å1.02Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C2N1C8109.8°111.4°
C2N1H1N124.4°124.4°
N1C2C3108.1°108.1°
N1C2O11128.2°125.9°
C8N1H1N125.8°124.3°
N1C8C7130.6°131.7°
N1C8C9109.8°109.2°
C3C2O11123.7°126.0°
C2C3C9104.1°105.0°
C2C3C12126.4°127.5°
C9C3C12129.6°127.5°
C3C9C4129.6°133.3°
C3C9C8108.1°106.4°
C3C12N17119.8°120.0°
C3C12H121115.5°120.0°
C5C4C9118.2°119.7°
C5C4H41120.9°120.1°
C4C5C6119.4°120.1°
C4C5H51120.7°120.0°
C9C4H41120.9°120.1°
C4C9C8122.3°120.4°
C6C5H51119.9°119.9°
C5C6C7120.9°120.6°
C5C6H61119.5°119.7°
C7C6H61119.6°119.7°
C6C7C8119.5°120.0°
C6C7H71120.3°119.9°
C8C7H71120.2°120.0°
C7C8C9119.6°119.2°
N17C12H121124.8°120.0°
C12N17C20123.8°120.0°
C12N17H17N107.1°120.0°
C20N17H17N107.1°120.0°
N17C20C21116.8°120.1°
N17C20C25123.9°120.0°
C21C20C25119.4°119.9°
C20C21C22120.5°119.9°
C20C21H211119.7°120.0°
C20C25C24120.2°119.9°
C20C25H251120.4°120.1°
C22C21H211119.8°120.1°
C21C22C23119.5°120.1°
C21C22H221120.2°120.0°
C23C22H221120.3°119.9°
C22C23C24120.2°120.1°
C22C23S30117.8°119.9°
C24C23S30122.0°120.0°
C23C24C25120.1°120.1°
C23C24H241120.2°120.0°
C23S30O31113.3°105.8°
C23S30O32104.1°105.7°
C23S30N33102.3°107.4°
C25C24H241119.7°119.9°
C24C25H251119.4°120.0°
O31S30O32121.3°125.3°
O31S30N33104.6°105.8°
O32S30N33109.6°105.7°
S30N33C35120.7°120.0°
S30N33H33N108.2°120.1°
C35N33H33N108.2°119.9°
N33C35N36123.2°119.9°
N33C35N37119.9°120.0°
N36C35N37116.9°120.0°
C35N36H36N91.7°120.0°
C35N37H371108.5°120.0°
C35N37H372119.9°120.0°
H371N37H372108.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C2N1C8H1N180.0°179.8°
N1C2C3O11179.4°180.0°
N1C2C3C94.4°0.3°
N1C2C3C12174.4°180.0°
C2N1C8C7177.7°180.0°
C2N1C8C91.4°0.3°
C8N1C2C33.7°0.0°
C8N1C2O11175.7°180.0°
N1C8C9C31.6°0.4°
N1C8C9C4177.2°179.6°
N1C8C7C6175.3°180.0°
N1C8C7C9178.9°179.8°
N1C8C7H714.7°0.0°
H1NN1C2C3176.3°179.8°
H1NN1C2O114.3°0.2°
H1NN1C8C72.3°0.1°
H1NN1C8C9178.6°179.9°
C2C3C9C12178.7°179.7°
C2C3C9C4175.1°179.5°
C2C3C9C83.6°0.4°
C2C3C12N171.1°0.0°
C2C3C12H121178.9°180.0°
O11C2C3C9175.0°179.7°
O11C2C3C126.2°0.0°
C3C9C4C5177.4°179.6°
C3C9C4C8178.5°179.0°
C3C9C4H412.6°0.7°
C3C9C8C7179.3°179.8°
C9C3C12N17177.3°179.7°
C9C3C12H1212.7°0.3°
C12C3C9C46.2°0.8°
C12C3C9C8175.1°179.9°
C3C12N17H121180.0°180.0°
C3C12N17C20176.0°180.0°
C3C12N17H17N50.7°0.0°
C5C4C9H41180.0°179.7°
C4C5C6H51180.0°180.0°
C4C5C6C70.7°0.0°
C4C5C6H61179.3°180.0°
C5C4C9C81.1°0.6°
C9C4C5C62.3°0.3°
C9C4C5H51177.6°179.7°
C4C9C8C71.9°0.6°
H41C4C5C6177.6°180.0°
H41C4C5H512.4°0.0°
H41C4C9C8178.9°179.7°
C5C6C7H61180.0°180.0°
C5C6C7C82.4°0.0°
C5C6C7H71177.6°180.0°
H51C5C6C7179.3°180.0°
H51C5C6H610.7°0.0°
C6C7C8H71180.0°180.0°
C6C7C8C93.6°0.3°
H61C6C7C8177.6°180.0°
H61C6C7H712.3°0.0°
H71C7C8C9176.4°179.7°
C12N17C20H17N125.2°180.0°
C12N17C20C21165.7°180.0°
C12N17C20C2514.8°0.0°
H121C12N17C204.0°0.0°
H121C12N17H17N129.2°180.0°
N17C20C21C25179.5°180.0°
N17C20C21C22175.9°180.0°
N17C20C21H2114.1°0.0°
N17C20C25C24177.1°179.8°
N17C20C25H2512.9°0.0°
H17NN17C20C2169.0°0.0°
H17NN17C20C25110.5°179.9°
C20C21C22H211180.0°179.9°
C20C21C22C231.4°0.0°
C20C21C22H221178.6°180.0°
C21C20C25C242.4°0.2°
C21C20C25H251177.6°180.0°
C25C20C21C223.6°0.0°
C25C20C21H211176.4°180.0°
C20C25C24C231.0°0.5°
C20C25C24H251180.0°179.8°
C20C25C24H241179.0°180.0°
C21C22C23H221180.0°180.0°
C21C22C23C242.1°0.2°
C21C22C23S30176.8°180.0°
H211C21C22C23178.6°180.0°
H211C21C22H2211.4°0.1°
C22C23C24S30178.9°179.8°
C22C23C24C253.3°0.5°
C22C23C24H241176.7°180.0°
C22C23S30O31151.1°16.6°
C22C23S30O3275.1°151.4°
C22C23S30N3339.1°96.1°
H221C22C23C24177.9°179.7°
H221C22C23S303.2°0.0°
C23C24C25H241180.0°179.5°
C23C24C25H251179.0°179.7°
C24C23S30O3130.0°163.2°
C24C23S30O32103.8°28.4°
C24C23S30N33142.0°84.2°
S30C23C24C25175.6°179.8°
S30C23C24H2414.4°0.2°
C23S30O31O32125.0°123.1°
C23S30O31N33110.6°113.8°
C23S30O32N33108.9°113.7°
C23S30N33C3574.3°64.6°
C23S30N33H33N160.5°115.4°
H241C24C25H2511.0°0.2°
O31S30O32N33122.0°123.1°
O31S30N33C3544.1°48.1°
O31S30N33H33N81.1°131.9°
O32S30N33C35175.7°177.2°
O32S30N33H33N50.4°2.8°
S30N33C35H33N125.3°180.0°
S30N33C35N3625.1°1.8°
S30N33C35N37155.0°178.2°
N33C35N36N37179.8°180.0°
N33C35N36H36N102.6°5.0°
N33C35N37H37154.7°179.9°
N33C35N37H372180.0°0.2°
H33NN33C35N36100.1°178.2°
H33NN33C35N3779.7°1.7°
N36C35N37H371125.1°0.1°
N36C35N37H3720.2°179.8°
N37C35N36H36N77.2°174.9°
C35N37H371H372131.8°179.9°

222415

PDB entries from 2024-07-10

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