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8E3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C20sing1.54Å1.57Å
C19N18sing1.47Å1.48Å
C20C14sing1.51Å1.54Å
N18C17sing1.47Å1.45Å
C14C13sing1.40Å1.43ÅAromatic
C14C15doub1.36Å1.35ÅAromatic
C13C12doub1.37Å1.37ÅAromatic
C17C15sing1.51Å1.52Å
C15O16sing1.33Å1.39ÅAromatic
N01C02sing1.35Å1.46Å
C12O16sing1.35Å1.34ÅAromatic
C12C11sing1.47Å1.39Å
N21C11doub1.32Å1.34ÅAromatic
N21C22sing1.35Å1.36ÅAromatic
C11N10sing1.37Å1.33ÅAromatic
C02O03doub1.22Å1.18Å
C02C04sing1.47Å1.54Å
C22C04doub1.41Å1.42ÅAromatic
C22C09sing1.41Å1.38ÅAromatic
C04C05sing1.39Å1.39ÅAromatic
N10C09sing1.38Å1.37ÅAromatic
C09C08doub1.39Å1.42ÅAromatic
C05C06doub1.38Å1.40ÅAromatic
C08C06sing1.38Å1.39ÅAromatic
C06F07sing1.35Å1.37Å
C05H1sing1.08Å1.08Å
C08H2sing1.08Å1.08Å
C13H3sing1.08Å1.08Å
C17H4sing1.09Å1.10Å
C17H5sing1.09Å1.10Å
C19H6sing1.09Å1.10Å
C19H7sing1.09Å1.10Å
C20H8sing1.09Å1.10Å
C20H9sing1.09Å1.10Å
N01H10sing0.97Å1.00Å
N01H11sing0.97Å1.00Å
N10H12sing0.97Å1.00Å
N18H13sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C20C19N18113.0°109.6°
C19C20C14112.3°107.8°
C20C19H6108.6°109.4°
C20C19H7108.6°109.5°
C19C20H8108.8°109.9°
C19C20H9108.7°109.8°
C19N18C17112.8°111.5°
N18C19H6108.6°109.4°
N18C19H7108.6°109.5°
C19N18H13108.7°111.0°
C20C14C13130.7°129.0°
C20C14C15122.1°123.6°
C14C20H8108.8°109.8°
C14C20H9108.8°109.8°
N18C17C15114.7°108.3°
N18C17H4108.2°109.7°
N18C17H5108.1°109.7°
C17N18H13108.6°111.0°
C13C14C15107.2°107.4°
C14C13C12107.0°106.5°
C14C13H3126.5°126.8°
C14C15C17121.3°123.1°
C14C15O16107.9°108.6°
C13C12O16108.5°108.1°
C13C12C11126.0°126.0°
C12C13H3126.5°126.7°
C17C15O16130.7°128.4°
C15C17H4108.1°109.7°
C15C17H5108.2°109.7°
C15O16C12109.4°109.3°
N01C02O03118.9°120.0°
N01C02C04120.5°120.0°
C02N01H10120.0°120.0°
C02N01H11120.0°120.0°
O16C12C11125.4°125.9°
C12C11N21125.6°125.2°
C12C11N10123.8°125.3°
C11N21C22107.3°109.8°
N21C11N10110.7°109.6°
N21C22C04132.9°133.2°
N21C22C09107.3°107.5°
C11N10C09107.2°107.0°
C11N10H12126.4°126.5°
O03C02C04120.6°120.1°
C02C04C22119.7°120.3°
C02C04C05120.8°120.3°
C04C22C09119.8°119.3°
C22C04C05119.6°119.5°
C22C09N10107.6°106.2°
C22C09C08120.3°120.1°
C04C05C06120.9°120.3°
C04C05H1119.6°119.9°
N10C09C08132.1°133.7°
C09N10H12126.4°126.5°
C09C08C06119.8°120.2°
C09C08H2120.1°119.9°
C05C06C08119.5°120.6°
C05C06F07121.1°119.7°
C06C05H1119.5°119.8°
C08C06F07119.4°119.7°
C06C08H2120.1°119.9°
H4C17H5109.5°109.6°
H6C19H7109.5°109.5°
H8C20H9109.5°109.8°
H10N01H11120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C20C19N18H6120.5°120.0°
C20C19N18H7120.5°120.1°
C19C20C14H8120.4°119.6°
C19C20C14H9120.4°119.6°
C20C19N18C1757.0°71.5°
C19C20C14C13171.0°164.3°
C19C20C14C158.9°15.6°
C20C19H6H7118.4°120.0°
C19C20H8H9118.7°120.9°
C20C19N18H13177.6°52.7°
N18C19C20C1436.9°48.9°
C19N18C17H13120.5°124.2°
C19N18C17C1547.1°51.5°
C19N18C17H473.7°68.2°
C19N18C17H5167.9°171.3°
N18C19H6H7118.4°120.0°
N18C19C20H883.6°70.6°
N18C19C20H9157.3°168.5°
C20C14C13C15179.9°179.9°
C20C14C13C12179.7°179.8°
C20C14C15C170.4°0.4°
C20C14C15O16179.8°179.7°
C20C14C13H30.3°0.3°
C14C20C19H683.7°168.9°
C14C20C19H7157.4°71.1°
C14C20H8H9118.7°120.8°
N18C17C15C1418.4°16.5°
N18C17C15H4120.8°119.7°
N18C17C15H5120.8°119.8°
N18C17C15O16161.4°163.4°
N18C17H4H5117.6°120.6°
C17N18C19H663.5°168.6°
C17N18C19H7177.6°48.6°
C14C13C12H3180.0°180.0°
C13C14C15C17179.7°179.7°
C13C14C15O160.1°0.2°
C14C13C12O160.2°0.0°
C14C13C12C11179.7°179.7°
C13C14C20H868.6°76.1°
C13C14C20H950.5°44.7°
C15C14C13C120.2°0.1°
C14C15C17O16179.8°179.9°
C14C15O16C120.0°0.2°
C15C14C13H3179.8°179.9°
C14C15C17H4102.4°103.2°
C14C15C17H5139.2°136.3°
C15C14C20H8111.5°104.0°
C15C14C20H9129.3°135.1°
C13C12O16C150.1°0.1°
C13C12O16C11179.5°179.7°
C13C12C11N216.1°0.9°
C13C12C11N10173.7°179.7°
C17C15O16C12179.8°179.7°
C15C17H4H5117.6°120.5°
C15C17N18H13167.6°72.7°
C15O16C12C11179.6°179.8°
O16C15C17H477.8°76.9°
O16C15C17H540.6°43.6°
N01C02O03C04179.5°179.7°
N01C02C04C224.1°180.0°
N01C02C04C05175.6°0.3°
C02N01H10H11180.0°180.0°
O16C12C11N21174.5°179.4°
O16C12C11N105.7°0.0°
O16C12C13H3179.8°179.9°
C12C11N21N10179.8°179.5°
C12C11N21C22179.1°179.9°
C12C11N10C09179.3°179.9°
C11C12C13H30.3°0.3°
C12C11N10H120.6°0.6°
C11N21C22C04180.0°179.3°
C11N21C22C090.7°0.5°
N21C11N10C090.5°0.6°
N21C11N10H12179.5°180.0°
C22N21C11N100.7°0.7°
N21C22C04C020.6°0.0°
N21C22C04C09179.2°179.7°
N21C22C04C05179.0°179.7°
N21C22C09N100.4°0.1°
N21C22C09C08179.3°179.6°
C11N10C09C220.1°0.3°
C11N10C09H12180.0°179.4°
C11N10C09C08179.7°180.0°
O03C02C04C22176.4°0.3°
O03C02C04C054.0°180.0°
O03C02N01H100.0°0.0°
O03C02N01H11180.0°180.0°
C02C04C22C05179.6°179.7°
C02C04C22C09179.9°179.7°
C02C04C05C06179.5°180.0°
C02C04C05H10.5°0.0°
C04C02N01H10179.5°179.7°
C04C02N01H110.5°0.3°
C04C22C09N10179.8°179.7°
C04C22C09C080.1°0.6°
C22C04C05C060.2°0.3°
C22C04C05H1179.9°179.8°
C09C22C04C050.2°0.6°
C22C09N10C08179.6°179.7°
C22C09C08C060.4°0.4°
C22C09C08H2179.6°179.7°
C22C09N10H12179.9°179.6°
C04C05C06H1180.0°180.0°
C04C05C06C080.6°0.1°
C04C05C06F07179.9°180.0°
N10C09C08C06179.2°180.0°
N10C09C08H20.8°0.0°
C09C08C06C050.8°0.1°
C09C08C06H2180.0°179.9°
C09C08C06F07180.0°179.9°
C08C09N10H120.3°0.7°
C05C06C08F07179.3°180.0°
C05C06C08H2179.2°180.0°
C08C06C05H1179.4°180.0°
F07C06C05H10.1°0.0°
F07C06C08H20.1°0.0°
H4C17N18H1346.9°167.6°
H5C17N18H1371.6°47.0°
H6C19C20H8155.9°49.4°
H6C19C20H936.8°71.6°
H6C19N18H1357.0°67.2°
H7C19C20H837.0°169.3°
H7C19C20H982.2°48.4°
H7C19N18H1361.9°172.8°

223532

PDB entries from 2024-08-07

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