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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11C10sing1.55Å1.52Å
C11C12sing1.55Å1.54Å
C10C9sing1.54Å1.51Å
O1C13doub1.21Å1.23Å
C14N2sing1.47Å1.45Å
C14C15sing1.51Å1.49Å
C13N2sing1.35Å1.33Å
C13C12sing1.51Å1.53Å
C9N1sing1.47Å1.48Å
C12N1sing1.47Å1.47Å
N1C8sing1.35Å1.34Å
C15C16doub1.34Å1.34ÅAromatic
C15O2sing1.34Å1.40ÅAromatic
C16C17sing1.41Å1.42ÅAromatic
O2C18sing1.34Å1.40ÅAromatic
C8Odoub1.21Å1.22Å
C8Csing1.51Å1.54Å
NCsing1.47Å1.47Å
CC1sing1.53Å1.54Å
C17C18doub1.35Å1.37ÅAromatic
C18CLsing1.74Å1.71Å
C7C6doub1.38Å1.38ÅAromatic
C7C2sing1.38Å1.39ÅAromatic
C6C5sing1.38Å1.38ÅAromatic
C1C2sing1.51Å1.50Å
C2C3doub1.38Å1.38ÅAromatic
C5C4doub1.38Å1.38ÅAromatic
C3C4sing1.38Å1.38ÅAromatic
C4H1sing1.08Å1.08Å
C7H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
C9H4sing1.09Å1.10Å
C9H5sing1.09Å1.10Å
C16H6sing1.08Å1.08Å
C1H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
C3H9sing1.08Å1.08Å
C5H10sing1.08Å1.08Å
C10H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C17H18sing1.08Å1.08Å
NH19sing1.01Å1.00Å
NH20sing1.01Å1.00Å
CH22sing1.09Å1.10Å
N2H23sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C10C11C12104.9°101.6°
C11C10C9105.1°103.0°
C11C10H11110.5°110.7°
C11C10H12110.5°110.9°
C10C11H13110.6°111.0°
C10C11H14110.6°111.0°
C11C12C13111.2°110.4°
C11C12N1103.3°104.8°
C12C11H13110.6°111.0°
C12C11H14110.6°111.0°
C11C12H15110.6°110.4°
C10C9N1103.6°107.2°
C10C9H4110.9°109.8°
C10C9H5110.9°110.0°
C9C10H11110.6°110.7°
C9C10H12110.6°110.7°
O1C13N2123.2°120.0°
O1C13C12120.1°119.9°
N2C14C15114.0°109.5°
C14N2C13120.9°120.0°
N2C14H16108.4°109.4°
N2C14H17108.3°109.5°
C14N2H23119.6°120.0°
C14C15C16133.7°125.8°
C14C15O2116.8°125.8°
C15C14H16108.3°109.5°
C15C14H17108.3°109.5°
N2C13C12116.6°120.1°
C13N2H23119.6°120.0°
C13C12N1109.2°110.4°
C13C12H15110.7°110.3°
C9N1C12112.8°108.7°
C9N1C8126.3°125.6°
N1C9H4110.9°109.9°
N1C9H5110.9°109.9°
C12N1C8120.9°125.6°
N1C12H15111.6°110.5°
N1C8O121.6°120.0°
N1C8C118.2°120.0°
C16C15O2109.4°108.4°
C15C16C17107.3°106.9°
C15C16H6126.4°126.5°
C15O2C18107.6°109.5°
C16C17C18108.6°106.8°
C17C16H6126.3°126.5°
C16C17H18125.7°126.6°
O2C18C17107.1°108.4°
O2C18CL119.0°125.7°
OC8C120.2°120.0°
C8CN107.0°109.5°
C8CC1111.5°109.5°
C8CH22109.1°109.5°
NCC1109.9°109.4°
CNH19109.5°111.0°
CNH20109.5°111.0°
NCH22110.1°109.4°
CC1C2113.6°109.5°
CC1H7108.5°109.5°
CC1H8108.5°109.4°
C1CH22109.2°109.5°
C17C18CL133.8°125.9°
C18C17H18125.7°126.6°
C6C7C2121.2°120.0°
C7C6C5119.8°120.0°
C6C7H2119.4°120.0°
C7C6H3120.1°120.0°
C7C2C1121.0°120.0°
C7C2C3117.9°120.0°
C2C7H2119.4°120.0°
C6C5C4119.9°120.0°
C5C6H3120.2°120.0°
C6C5H10120.0°120.0°
C1C2C3121.1°120.0°
C2C1H7108.4°109.4°
C2C1H8108.4°109.4°
C2C3C4121.3°120.0°
C2C3H9119.4°120.0°
C5C4C3119.9°120.0°
C5C4H1120.1°120.0°
C4C5H10120.0°120.0°
C3C4H1120.0°120.0°
C4C3H9119.4°120.0°
H4C9H5109.5°109.9°
H7C1H8109.5°109.5°
H11C10H12109.5°110.7°
H13C11H14109.5°111.0°
H16C14H17109.5°109.5°
H19NH20109.4°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C10C11C12H13119.3°118.1°
C10C11C12H14119.3°118.1°
C11C10C9H11119.3°118.3°
C11C10C9H12119.3°118.6°
C10C11C12C13140.7°155.9°
C11C10C9N128.1°22.1°
C10C11C12N123.7°37.0°
C11C10C9H491.0°97.2°
C11C10C9H5147.1°141.7°
C11C10H11H12122.0°123.4°
C10C11H13H14122.1°124.0°
C10C11C12H1595.8°82.0°
C12C11C10C932.7°35.5°
C11C12C13O169.2°86.2°
C11C12C13N2112.5°93.8°
C11C12C13N1113.4°115.4°
C11C12C13H15123.4°122.2°
C11C12N1C96.5°24.1°
C11C12N1H15118.9°118.9°
C11C12N1C8171.5°155.9°
C12C11C10H11152.0°82.8°
C12C11C10H1286.7°153.9°
C12C11H13H14122.1°123.8°
C10C9N1H4119.0°119.3°
C10C9N1H5119.1°119.6°
C10C9N1C1213.5°1.1°
C10C9N1C8168.7°179.0°
C10C9H4H5122.7°121.2°
C9C10H11H12122.0°123.1°
C9C10C11H13151.9°153.5°
C9C10C11H1486.6°82.6°
O1C13N2C146.1°0.0°
O1C13N2C12178.3°180.0°
O1C13C12N144.2°29.2°
O1C13C12H15167.4°151.6°
O1C13N2H23173.9°180.0°
N2C14C15H16120.7°119.9°
N2C14C15H17120.7°120.0°
C14N2C13H23180.0°179.9°
C14N2C13C12175.6°180.0°
N2C14C15C16119.4°90.0°
N2C14C15O265.2°90.1°
N2C14H16H17118.0°120.0°
C15C14N2C13120.6°180.0°
C14C15C16O2175.7°179.9°
C14C15C16C17175.1°179.9°
C14C15O2C18176.3°179.8°
C14C15C16H64.9°0.2°
C15C14H16H17117.9°120.1°
C15C14N2H2359.4°0.0°
N2C13C12N1134.2°150.8°
N2C13C12H1510.9°28.4°
C13N2C14H16118.7°60.0°
C13N2C14H170.1°59.9°
C13C12N1C9124.9°143.0°
C13C12N1H15122.7°122.2°
C13C12N1C853.1°37.1°
C13C12C11H13100.0°86.1°
C13C12C11H1421.5°37.8°
C12C13N2H234.4°0.1°
C9N1C12C8178.0°179.9°
C9N1C8O176.6°175.4°
C9N1C8C1.5°4.6°
N1C9H4H5122.8°121.1°
N1C9C10H11147.4°96.1°
N1C9C10H1291.2°140.7°
C9N1C12H15112.4°94.8°
C12N1C8O1.0°4.7°
C12N1C8C179.2°175.3°
C12N1C9H4105.5°120.4°
C12N1C9H5132.6°118.5°
N1C12C11H13143.0°155.1°
N1C12C11H1495.5°81.1°
N1C8OC178.1°180.0°
N1C8CN119.8°160.0°
N1C8CC1120.0°80.1°
C8N1C9H472.3°59.6°
C8N1C9H549.6°61.4°
C8N1C12H1569.7°85.2°
N1C8CH220.7°40.0°
C15C16C17H6180.0°179.9°
C16C15O2C180.2°0.1°
C15C16C17C180.7°0.1°
C16C15C14H16120.0°150.0°
C16C15C14H171.3°30.0°
C15C16C17H18179.3°179.9°
O2C15C16C170.6°0.0°
C15O2C18C170.2°0.2°
C15O2C18CL178.2°180.0°
O2C15C16H6179.4°179.9°
O2C15C14H1655.5°29.9°
O2C15C14H17174.2°149.9°
C16C17C18O20.6°0.2°
C16C17C18H18180.0°180.0°
C16C17C18CL177.5°180.0°
O2C18C17CL178.1°179.8°
O2C18C17H18179.4°179.8°
OC8CN58.3°20.0°
OC8CC161.9°100.0°
OC8CH22177.4°140.0°
C8CNC1121.2°120.0°
C8CNH22118.4°120.1°
C8CC1H22120.7°120.1°
C8CC1C274.7°175.0°
C8CC1H745.9°65.0°
C8CC1H8164.7°55.1°
C8CNH19180.0°176.0°
C8CNH2060.0°60.0°
NCC1H22120.8°119.9°
NCC1C2166.8°65.0°
NCC1H772.6°55.0°
NCC1H846.2°175.1°
CNH19H20120.0°124.0°
CC1C2C754.1°89.9°
CC1C2H7120.6°120.0°
CC1C2H8120.6°119.9°
CC1C2C3126.4°89.7°
CC1H7H8118.1°120.0°
C1CNH1958.7°64.0°
C1CNH2061.2°60.0°
C18C17C16H6179.3°180.0°
CLC18C17H182.5°0.1°
C6C7C2H2180.0°179.6°
C7C6C5H3180.0°179.7°
C6C7C2C1179.7°180.0°
C6C7C2C30.2°0.3°
C7C6C5C40.9°0.0°
C7C6C5H10179.0°180.0°
C2C7C6C50.7°0.3°
C7C2C1C3179.5°179.6°
C7C2C3C40.8°0.0°
C2C7C6H3179.3°180.0°
C7C2C1H7174.8°150.0°
C7C2C1H866.5°30.0°
C7C2C3H9179.2°179.9°
C6C5C4H10180.0°179.9°
C6C5C4C30.3°0.3°
C6C5C4H1179.7°180.0°
C5C6C7H2179.3°180.0°
C1C2C3C4179.6°179.7°
C1C2C7H20.3°0.4°
C2C1H7H8118.1°120.0°
C1C2C3H90.4°0.3°
C2C1CH2246.0°54.9°
C2C3C4C50.6°0.3°
C2C3C4H9180.0°180.0°
C2C3C4H1179.4°180.0°
C3C2C7H2179.8°180.0°
C3C2C1H75.7°30.3°
C3C2C1H8113.0°150.4°
C5C4C3H1180.0°179.7°
C4C5C6H3179.1°179.7°
C5C4C3H9179.4°179.8°
C3C4C5H10179.7°179.7°
H1C4C3H90.6°0.0°
H1C4C5H100.3°0.1°
H2C7C6H30.7°0.3°
H3C6C5H100.9°0.3°
H4C9C10H1128.3°144.5°
H4C9C10H12149.7°21.4°
H5C9C10H1193.6°23.4°
H5C9C10H1227.8°99.7°
H6C16C17H180.7°0.0°
H7C1CH22166.6°174.9°
H8C1CH2274.6°65.0°
H11C10C11H1388.8°35.2°
H11C10C11H1432.7°159.1°
H12C10C11H1332.6°88.0°
H12C10C11H14154.1°35.9°
H13C11C12H1523.5°36.1°
H14C11C12H15144.9°159.9°
H16C14N2H2361.3°120.0°
H17C14N2H23180.0°120.0°
H19NCH2261.6°56.0°
H20NCH22178.4°180.0°

224931

PDB entries from 2024-09-11

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