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A1ID3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C02N01sing1.47Å1.48Å
C03C02sing1.53Å1.53Å
C04C03sing1.51Å1.53Å
C05C04doub1.36Å1.37ÅAromatic
C07N06sing1.38Å1.33ÅAromatic
C08C07doub1.39Å1.42ÅAromatic
C09C08sing1.38Å1.39ÅAromatic
C10C09doub1.39Å1.38ÅAromatic
O11C10sing1.36Å1.39Å
C12C10sing1.38Å1.42ÅAromatic
C13C12doub1.40Å1.42ÅAromatic
N06C05sing1.38Å1.34ÅAromatic
C14C05sing1.48Å1.40Å
C15C14doub1.40Å1.39ÅAromatic
C16C15sing1.38Å1.38ÅAromatic
C17C16doub1.38Å1.39ÅAromatic
N18C17sing1.32Å1.32ÅAromatic
C19N18doub1.32Å1.32ÅAromatic
C04C13sing1.46Å1.42ÅAromatic
C07C13sing1.41Å1.36ÅAromatic
C14C19sing1.40Å1.38ÅAromatic
C15H151sing1.08Å1.08Å
C17H171sing1.08Å1.08Å
N01H011sing1.01Å1.00Å
N01H012sing1.01Å1.00Å
C02H021sing1.09Å1.10Å
C02H022sing1.09Å1.10Å
C03H032sing1.09Å1.10Å
C03H031sing1.09Å1.10Å
N06H061sing0.97Å1.00Å
C08H081sing1.08Å1.08Å
C09H091sing1.08Å1.08Å
O11H111sing0.97Å0.95Å
C12H121sing1.08Å1.08Å
C16H161sing1.08Å1.08Å
C19H191sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N01C02C03111.5°109.4°
C02N01H011109.5°110.9°
C02N01H012109.5°111.0°
N01C02H021109.0°109.5°
N01C02H022109.0°109.4°
C02C03C04106.1°109.5°
C03C02H021108.9°109.5°
C03C02H022108.9°109.5°
C02C03H032110.3°109.5°
C02C03H031110.3°109.5°
C03C04C05132.0°126.5°
C03C04C13121.9°126.5°
C04C03H032110.3°109.5°
C04C03H031110.3°109.5°
C04C05N06108.5°109.6°
C04C05C14131.1°125.3°
C05C04C13105.9°107.0°
N06C07C08129.8°133.1°
C07N06C05110.0°109.7°
N06C07C13108.6°107.4°
C07N06H061125.0°125.1°
C07C08C09119.2°120.0°
C08C07C13121.6°119.5°
C07C08H081120.4°120.0°
C08C09C10119.9°120.7°
C09C08H081120.4°120.0°
C08C09H091120.0°119.7°
C09C10O11118.1°119.9°
C09C10C12120.8°120.2°
C10C09H091120.1°119.7°
O11C10C12121.1°119.9°
C10O11H111109.5°114.0°
C10C12C13118.7°119.6°
C10C12H121120.6°120.2°
C12C13C04133.3°133.7°
C12C13C07119.7°120.0°
C13C12H121120.7°120.2°
N06C05C14120.4°125.2°
C05N06H061125.0°125.1°
C05C14C15117.8°120.6°
C05C14C19123.5°120.5°
C14C15C16119.5°118.3°
C15C14C19118.5°118.9°
C14C15H151120.3°120.9°
C15C16C17118.7°119.3°
C16C15H151120.3°120.8°
C15C16H161120.7°120.3°
C16C17N18120.5°121.1°
C16C17H171119.8°119.5°
C17C16H161120.7°120.3°
C17N18C19122.0°121.8°
N18C17H171119.7°119.4°
N18C19C14120.8°120.6°
N18C19H191119.6°119.7°
C04C13C07107.0°106.3°
C14C19H191119.6°119.8°
H011N01H012109.5°111.0°
H021C02H022109.5°109.5°
H032C03H031109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N01C02C03H021120.3°120.0°
N01C02C03H022120.3°120.0°
N01C02C03C04168.8°180.0°
C02N01H011H012120.0°123.9°
N01C02H021H022119.1°120.0°
N01C02C03H03271.8°60.0°
N01C02C03H03149.3°60.0°
C02C03C04H032119.5°120.0°
C02C03C04H031119.5°120.0°
C02C03C04C0576.7°90.0°
C02C03C04C1396.9°90.0°
C03C02N01H011180.0°180.0°
C03C02N01H01260.0°56.1°
C03C02H021H022119.1°120.0°
C02C03H032H031121.6°120.0°
C03C04C05C13174.4°179.9°
C03C04C13C122.2°0.1°
C03C04C05N06177.2°180.0°
C03C04C05C144.6°0.1°
C03C04C13C07177.9°180.0°
C04C03C02H02148.5°60.0°
C04C03C02H02270.9°60.0°
C04C03H032H031121.5°120.0°
C04C05N06C071.8°0.0°
C05C04C13C12177.3°180.0°
C04C05N06C14178.4°180.0°
C04C05C14C15148.1°135.0°
C05C04C13C072.8°0.0°
C04C05C14C1927.7°44.9°
C05C04C03H032163.8°150.0°
C05C04C03H03142.7°30.0°
C04C05N06H061178.2°179.9°
N06C07C08C13176.9°179.6°
N06C07C08C09179.5°179.9°
N06C07C13C12178.3°180.0°
C07N06C05H061180.0°179.9°
C07N06C05C14179.8°180.0°
N06C07C13C041.7°0.0°
N06C07C08H0810.4°0.1°
C07C08C09H081180.0°180.0°
C07C08C09C102.6°0.5°
C08C07C13C120.8°0.3°
C08C07N06C05177.2°179.7°
C08C07C13C04179.2°179.7°
C08C07N06H0612.8°0.2°
C07C08C09H091177.4°179.5°
C08C09C10H091180.0°179.9°
C08C09C10O11179.5°180.0°
C08C09C10C120.9°0.3°
C09C08C07C132.7°0.5°
C09C10O11C12179.6°179.7°
C09C10C12C131.0°0.0°
C10C09C08H081177.4°179.6°
C09C10O11H111180.0°90.0°
C09C10C12H121179.0°180.0°
O11C10C12C13178.6°179.8°
O11C10C09H0910.5°0.0°
O11C10C12H1211.4°0.3°
C10C12C13H121180.0°179.9°
C10C12C13C04178.9°179.9°
C10C12C13C071.0°0.0°
C12C10C09H091179.1°179.7°
C12C10O11H1110.4°89.7°
C12C13C04C07180.0°180.0°
N06C05C14C1533.9°45.1°
N06C05C04C132.8°0.0°
C05N06C07C130.0°0.0°
N06C05C14C19150.3°135.0°
C05C14C15C19176.0°179.9°
C05C14C15C16179.0°179.7°
C05C14C19N18178.5°179.9°
C14C05C04C13179.0°180.0°
C05C14C15H1510.9°0.1°
C14C05N06H0610.2°0.1°
C05C14C19H1911.5°0.1°
C14C15C16H151180.0°179.8°
C14C15C16C171.0°0.1°
C15C14C19N182.7°0.0°
C14C15C16H161179.0°179.9°
C15C14C19H191177.3°180.0°
C15C16C17H161180.0°179.8°
C15C16C17N181.5°0.6°
C16C15C14C193.0°0.2°
C15C16C17H171178.4°179.9°
C16C17N18H171180.0°179.4°
C16C17N18C192.0°0.9°
C17C16C15H151179.0°179.7°
C17N18C19C140.2°0.6°
N18C17C16H161178.5°179.5°
C17N18C19H191179.8°179.4°
N18C19C14H191180.0°180.0°
C19N18C17H171178.0°179.7°
C13C04C03H03222.5°30.0°
C13C04C03H031143.6°150.0°
C04C13C12H1211.1°0.0°
C13C07N06H061180.0°179.9°
C13C07C08H081177.3°179.6°
C07C13C12H121179.0°180.0°
C19C14C15H151176.9°180.0°
H151C15C16H1611.0°0.1°
H171C17C16H1611.6°0.1°
H011N01C02H02159.7°60.0°
H011N01C02H02259.7°60.1°
H012N01C02H02160.3°63.9°
H012N01C02H022179.7°176.1°
H021C02C03H032167.9°180.0°
H021C02C03H03171.0°60.0°
H022C02C03H03248.5°60.0°
H022C02C03H031169.6°180.0°
H081C08C09H0912.6°0.5°

250835

PDB entries from 2026-03-18

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