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SummaryGeometryRelated PDB entries

A1JKR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O08C07doub1.21Å1.27Å
C07O09sing1.35Å1.23Å
C07C05sing1.47Å1.54Å
C01C03doub1.38Å1.38ÅAromatic
C01C05sing1.40Å1.41ÅAromatic
C03C02sing1.39Å1.39ÅAromatic
C05C06doub1.40Å1.41ÅAromatic
C02C04doub1.38Å1.42ÅAromatic
C06C04sing1.39Å1.42ÅAromatic
C06N10sing1.39Å1.50Å
N10C11sing1.40Å1.43Å
C11C13doub1.39Å1.39ÅAromatic
C11C15sing1.39Å1.40ÅAromatic
C13C12sing1.38Å1.39ÅAromatic
C15C16doub1.38Å1.39ÅAromatic
C12CL17sing1.74Å1.79Å
C12C14doub1.39Å1.39ÅAromatic
C16C14sing1.39Å1.42ÅAromatic
C14O18sing1.36Å1.42Å
O18C19sing1.43Å1.46Å
C19C20sing1.53Å1.58Å
C20C21sing1.53Å1.57Å
C21N22sing1.47Å1.47Å
C24N22sing1.47Å1.45Å
C24C25sing1.53Å1.53Å
N22C23sing1.47Å1.46Å
O26C25sing1.43Å1.38Å
C23C27sing1.53Å1.54Å
C27C28sing1.53Å1.54Å
C28O29sing1.43Å1.47Å
O29C30sing1.36Å1.43Å
C30C34doub1.39Å1.41ÅAromatic
C30C32sing1.39Å1.40ÅAromatic
CL36C32sing1.74Å1.82Å
C34C35sing1.38Å1.40ÅAromatic
C32C31doub1.38Å1.41ÅAromatic
C35C33doub1.39Å1.38ÅAromatic
C31C33sing1.39Å1.42ÅAromatic
C33N37sing1.40Å1.46Å
N37C38sing1.39Å1.49Å
C42C38doub1.39Å1.42ÅAromatic
C42C43sing1.38Å1.40ÅAromatic
C38C40sing1.40Å1.40ÅAromatic
C43C41doub1.39Å1.39ÅAromatic
C40C39doub1.40Å1.41ÅAromatic
C40C44sing1.47Å1.54Å
C41C39sing1.38Å1.40ÅAromatic
O46C44doub1.21Å1.22Å
C44O45sing1.35Å1.29Å
C13H1sing1.08Å1.08Å
C15H2sing1.08Å1.08Å
C20H3sing1.09Å1.10Å
C20H4sing1.09Å1.10Å
C21H5sing1.09Å1.10Å
C21H6sing1.09Å1.10Å
C24H7sing1.09Å1.10Å
C24H8sing1.09Å1.10Å
C28H9sing1.09Å1.10Å
C28H10sing1.09Å1.10Å
C01H11sing1.08Å1.08Å
C02H12sing1.08Å1.08Å
C03H13sing1.08Å1.08Å
C04H14sing1.08Å1.08Å
O09H15sing0.97Å0.95Å
N10H16sing0.97Å1.00Å
C16H17sing1.08Å1.08Å
C19H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C25H23sing1.09Å1.10Å
C25H24sing1.09Å1.10Å
O26H25sing0.97Å0.95Å
C27H26sing1.09Å1.10Å
C27H27sing1.09Å1.10Å
C31H28sing1.08Å1.08Å
C34H29sing1.08Å1.08Å
C35H30sing1.08Å1.08Å
N37H31sing0.97Å1.00Å
C39H32sing1.08Å1.08Å
C41H33sing1.08Å1.08Å
C42H34sing1.08Å1.08Å
C43H35sing1.08Å1.08Å
O45H36sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O08C07O09118.3°120.0°
O08C07C05121.3°120.0°
O09C07C05120.4°120.0°
C07O09H15109.5°117.0°
C07C05C01118.8°120.2°
C07C05C06121.0°120.2°
C03C01C05121.5°119.9°
C01C03C02119.5°120.4°
C03C01H11119.3°120.1°
C01C03H13120.2°119.8°
C01C05C06120.2°119.6°
C05C01H11119.2°120.0°
C03C02C04119.6°120.5°
C03C02H12120.2°119.8°
C02C03H13120.2°119.9°
C05C06C04117.7°119.7°
C05C06N10117.1°120.2°
C02C04C06121.3°120.0°
C04C02H12120.2°119.7°
C02C04H14119.3°120.0°
C04C06N10125.1°120.2°
C06C04H14119.3°120.0°
C06N10C11120.0°120.0°
C06N10H16120.0°120.0°
N10C11C13118.2°120.0°
N10C11C15122.1°120.0°
C11N10H16120.0°120.0°
C13C11C15119.7°119.9°
C11C13C12121.4°120.0°
C11C13H1119.3°120.0°
C11C15C16120.7°120.0°
C11C15H2119.6°120.0°
C13C12CL17120.1°120.0°
C13C12C14118.2°120.0°
C12C13H1119.3°120.0°
C15C16C14118.1°120.0°
C16C15H2119.7°120.0°
C15C16H17121.0°120.0°
CL17C12C14121.7°120.0°
C12C14C16121.9°120.0°
C12C14O18115.5°120.0°
C16C14O18122.5°120.0°
C14C16H17120.9°120.0°
C14O18C19117.4°117.0°
O18C19C20116.7°109.5°
O18C19H18107.6°109.5°
O18C19H19107.6°109.5°
C19C20C21118.5°109.5°
C19C20H3107.2°109.5°
C19C20H4107.2°109.5°
C20C19H18107.7°109.5°
C20C19H19107.6°109.5°
C20C21N22118.3°109.5°
C21C20H3107.2°109.5°
C21C20H4107.2°109.5°
C20C21H5107.2°109.5°
C20C21H6107.2°109.5°
C21N22C24117.7°111.0°
C21N22C23122.8°111.0°
N22C21H5107.2°109.4°
N22C21H6107.2°109.5°
N22C24C25117.4°109.5°
C24N22C23117.9°111.0°
N22C24H7107.5°109.5°
N22C24H8107.4°109.5°
C24C25O26105.4°109.5°
C25C24H7107.5°109.5°
C25C24H8107.5°109.5°
C24C25H23110.5°109.5°
C24C25H24110.5°109.4°
N22C23C27118.6°109.5°
N22C23H21107.1°109.4°
N22C23H22107.2°109.5°
O26C25H23110.5°109.5°
O26C25H24110.5°109.4°
C25O26H25109.5°114.1°
C23C27C28110.7°109.4°
C27C23H21107.1°109.4°
C27C23H22107.1°109.5°
C23C27H26109.2°109.5°
C23C27H27109.1°109.5°
C27C28O29112.5°109.4°
C27C28H9108.7°109.5°
C27C28H10108.7°109.5°
C28C27H26109.2°109.5°
C28C27H27109.2°109.5°
C28O29C30116.4°117.0°
O29C28H9108.7°109.5°
O29C28H10108.7°109.4°
O29C30C34123.9°119.9°
O29C30C32114.2°120.0°
C34C30C32121.9°120.1°
C30C34C35119.4°120.0°
C30C34H29120.3°120.0°
C30C32CL36122.7°120.0°
C30C32C31116.1°120.0°
CL36C32C31121.2°120.0°
C34C35C33121.0°120.0°
C35C34H29120.3°120.0°
C34C35H30119.5°120.0°
C32C31C33123.2°120.0°
C32C31H28118.4°120.0°
C35C33C31118.4°120.0°
C35C33N37127.5°120.0°
C33C35H30119.5°120.0°
C31C33N37114.1°120.0°
C33C31H28118.4°120.0°
C33N37C38119.6°120.0°
C33N37H31120.2°120.0°
N37C38C42123.9°120.2°
N37C38C40118.6°120.2°
C38N37H31120.2°120.0°
C38C42C43121.7°120.1°
C42C38C40117.3°119.6°
C38C42H34119.2°120.0°
C42C43C41120.4°120.4°
C43C42H34119.1°120.0°
C42C43H35119.8°119.8°
C38C40C39120.3°119.6°
C38C40C44118.6°120.2°
C43C41C39118.3°120.4°
C43C41H33120.8°119.8°
C41C43H35119.8°119.8°
C39C40C44121.0°120.2°
C40C39C41121.9°119.9°
C40C39H32119.0°120.0°
C40C44O46120.8°120.0°
C40C44O45120.7°120.0°
C41C39H32119.1°120.1°
C39C41H33120.9°119.8°
O46C44O45118.4°120.0°
C44O45H36109.5°117.0°
H3C20H4109.5°109.4°
H5C21H6109.5°109.5°
H7C24H8109.5°109.4°
H9C28H10109.4°109.5°
H18C19H19109.5°109.4°
H21C23H22109.5°109.5°
H23C25H24109.4°109.5°
H26C27H27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O08C07O09C05179.5°179.9°
O08C07C05C011.7°176.1°
O08C07C05C06175.1°3.8°
O08C07O09H150.0°0.0°
O09C07C05C01177.8°4.0°
O09C07C05C065.4°176.1°
C07C05C01C03179.0°179.9°
C07C05C01C06176.9°179.9°
C07C05C06C04177.8°179.9°
C07C05C06N105.8°0.1°
C07C05C01H111.0°0.2°
C05C07O09H15179.5°179.9°
C03C01C05H11180.0°179.8°
C01C03C02H13180.0°180.0°
C03C01C05C064.1°0.1°
C01C03C02C043.2°0.1°
C01C03C02H12176.8°180.0°
C05C01C03C025.2°0.0°
C01C05C06C041.0°0.0°
C01C05C06N10177.4°180.0°
C05C01C03H13174.8°180.0°
C03C02C04H12180.0°180.0°
C03C02C04C060.1°0.1°
C02C03C01H11174.8°179.8°
C03C02C04H14179.8°180.0°
C05C06C04C021.0°0.0°
C05C06C04N10176.1°179.9°
C05C06N10C11178.9°74.9°
C06C05C01H11175.9°179.7°
C05C06C04H14179.1°179.9°
C05C06N10H161.1°105.1°
C02C04C06H14180.0°179.9°
C02C04C06N10175.1°179.9°
C04C02C03H13176.8°180.0°
C04C06N10C115.1°105.0°
C06C04C02H12179.9°180.0°
C04C06N10H16175.0°75.0°
C06N10C11H16180.0°180.0°
C06N10C11C13125.5°173.0°
C06N10C11C1556.6°7.0°
N10C06C04H144.9°0.0°
N10C11C13C15177.9°180.0°
N10C11C13C12177.5°180.0°
N10C11C15C16177.2°179.5°
N10C11C13H12.5°0.2°
N10C11C15H22.8°0.3°
C11C13C12H1180.0°179.8°
C13C11C15C160.6°0.6°
C11C13C12CL17179.3°179.7°
C11C13C12C141.1°0.2°
C13C11C15H2179.5°179.7°
C13C11N10H1654.4°7.0°
C15C11C13C120.4°0.1°
C11C15C16H2180.0°179.1°
C11C15C16C141.5°0.8°
C15C11C13H1179.6°179.7°
C15C11N10H16123.4°173.0°
C11C15C16H17178.6°179.9°
C13C12CL17C14179.6°179.9°
C13C12C14C162.1°0.0°
C13C12C14O18179.9°180.0°
C15C16C14C122.3°0.6°
C15C16C14H17180.0°179.3°
C15C16C14O18179.9°179.5°
CL17C12C14C16178.3°180.0°
CL17C12C14O180.6°0.0°
CL17C12C13H10.7°0.1°
C12C14C16O18177.6°180.0°
C12C14O18C19158.8°180.0°
C14C12C13H1178.9°180.0°
C12C14C16H17177.7°179.8°
C16C14O18C1923.5°0.0°
C14C16C15H2178.6°180.0°
C14O18C19C20170.1°180.0°
O18C14C16H170.1°0.2°
C14O18C19H1868.8°60.0°
C14O18C19H1949.1°60.0°
O18C19C20H18121.1°120.0°
O18C19C20H19121.0°120.0°
O18C19C20C2137.6°180.0°
O18C19C20H383.7°60.0°
O18C19C20H4158.9°60.0°
O18C19H18H19116.7°120.0°
C19C20C21H3121.3°120.0°
C19C20C21H4121.3°120.0°
C19C20C21N22130.7°180.0°
C19C20H3H4115.9°120.0°
C19C20C21H59.4°60.0°
C19C20C21H6108.0°60.0°
C20C19H18H19116.7°120.0°
C20C21N22H5121.3°120.0°
C20C21N22H6121.3°120.0°
C20C21N22C24133.7°66.0°
C20C21N22C2360.7°170.0°
C21C20H3H4115.9°120.0°
C20C21H5H6116.0°120.0°
C21C20C19H18158.6°60.0°
C21C20C19H1983.4°60.0°
C21N22C24C23166.3°124.0°
C21N22C24C25169.6°169.5°
C21N22C23C277.1°75.4°
N22C21C20H3108.0°60.0°
N22C21C20H49.4°60.0°
N22C21H5H6116.0°120.0°
C21N22C24H748.5°49.5°
C21N22C24H869.3°70.5°
C21N22C23H21128.4°164.7°
C21N22C23H22114.2°44.6°
N22C24C25H7121.2°120.0°
N22C24C25H8121.1°120.0°
N22C24C25O2656.1°60.8°
C24N22C23C27172.7°160.6°
C24N22C21H512.5°54.0°
C24N22C21H6105.0°173.9°
N22C24H7H8116.4°120.0°
C24N22C23H2166.0°40.7°
C24N22C23H2251.4°79.4°
N22C24C25H23175.4°179.2°
N22C24C25H2463.3°59.2°
C25C24N22C2324.1°66.5°
C24C25O26H23119.4°120.0°
C24C25O26H24119.4°119.9°
C25C24H7H8116.4°119.9°
C24C25H23H24121.9°120.0°
C24C25O26H25180.0°180.0°
N22C23C27H21121.3°119.9°
N22C23C27H22121.3°120.0°
N22C23C27C28152.1°175.3°
C23N22C21H5178.1°70.0°
C23N22C21H660.6°50.0°
C23N22C24H7145.2°173.5°
C23N22C24H897.0°53.5°
N22C23H21H22115.9°120.0°
N22C23C27H2631.9°64.8°
N22C23C27H2787.8°55.2°
O26C25C24H765.1°59.3°
O26C25C24H8177.2°179.2°
O26C25H23H24121.9°120.0°
C23C27C28H26120.2°120.0°
C23C27C28H27120.1°120.0°
C23C27C28O2963.9°180.0°
C23C27C28H956.6°60.0°
C23C27C28H10175.6°60.1°
C27C23H21H22115.8°120.0°
C23C27H26H27119.4°120.0°
C27C28O29H9120.5°120.0°
C27C28O29H10120.5°120.0°
C27C28O29C30175.4°180.0°
C27C28H9H10118.6°120.0°
C28C27C23H2186.7°64.8°
C28C27C23H2230.7°55.3°
C28C27H26H27119.5°120.0°
C28O29C30C348.7°0.0°
C28O29C30C32171.4°179.7°
O29C28H9H10118.6°120.0°
O29C28C27H26175.9°60.0°
O29C28C27H2756.2°60.0°
O29C30C34C32179.8°179.7°
O29C30C32CL360.3°0.1°
O29C30C34C35179.7°179.9°
O29C30C32C31178.2°180.0°
C30O29C28H954.9°60.0°
C30O29C28H1064.1°60.0°
O29C30C34H290.3°0.0°
C34C30C32CL36179.5°179.7°
C30C34C35H29180.0°180.0°
C34C30C32C311.9°0.3°
C30C34C35C330.2°0.1°
C30C34C35H30179.8°179.9°
C30C32CL36C31178.5°180.0°
C32C30C34C350.5°0.3°
C30C32C31C333.3°0.0°
C30C32C31H28176.7°179.7°
C32C30C34H29179.6°179.7°
CL36C32C31C33178.1°180.0°
CL36C32C31H281.9°0.3°
C34C35C33H30180.0°179.9°
C34C35C33C311.5°0.4°
C34C35C33N37179.5°179.6°
C32C31C33C353.1°0.3°
C32C31C33H28180.0°179.7°
C32C31C33N37178.6°179.7°
C35C33C31N37178.3°180.0°
C35C33N37C3851.8°5.8°
C35C33C31H28176.9°180.0°
C33C35C34H29179.8°180.0°
C35C33N37H31128.2°174.2°
C31C33N37C38126.3°174.2°
C31C33C35H30178.5°179.8°
C31C33N37H3153.7°5.8°
C33N37C38H31180.0°179.9°
C33N37C38C421.2°103.0°
C33N37C38C40173.1°77.3°
N37C33C31H281.4°0.0°
N37C33C35H300.5°0.2°
N37C38C42C40174.3°179.7°
N37C38C42C43174.2°180.0°
N37C38C40C39174.2°179.9°
N37C38C40C449.8°0.1°
N37C38C42H345.8°0.0°
C38C42C43H34180.0°179.9°
C38C42C43C411.2°0.0°
C42C38C40C390.4°0.3°
C42C38C40C44175.5°179.7°
C42C38N37H31178.8°76.9°
C38C42C43H35178.8°180.0°
C43C42C38C400.2°0.3°
C42C43C41H35180.0°180.0°
C42C43C41C392.3°0.3°
C42C43C41H33177.7°180.0°
C38C40C39C44175.9°180.0°
C38C40C39C410.7°0.0°
C38C40C44O466.7°5.8°
C38C40C44O45171.9°174.2°
C40C38N37H316.9°102.7°
C38C40C39H32179.3°180.0°
C40C38C42H34179.8°179.7°
C43C41C39C402.1°0.3°
C43C41C39H33180.0°179.7°
C43C41C39H32177.9°179.8°
C41C43C42H34178.8°180.0°
C40C39C41H32180.0°179.9°
C39C40C44O46177.3°174.2°
C39C40C44O454.0°5.8°
C40C39C41H33178.0°180.0°
C44C40C39C41176.6°180.0°
C40C44O46O45178.7°180.0°
C44C40C39H323.4°0.0°
C40C44O45H36178.7°180.0°
C39C41C43H35177.7°179.7°
O46C44O45H360.0°0.0°
H2C15C16H171.4°0.8°
H3C20C21H5130.7°60.0°
H3C20C21H613.3°180.0°
H3C20C19H1837.3°180.0°
H3C20C19H19155.3°60.1°
H4C20C21H5111.9°180.0°
H4C20C21H6130.7°60.0°
H4C20C19H1880.1°60.1°
H4C20C19H1937.9°NaN°
H7C24C25H2354.3°60.8°
H7C24C25H24175.5°179.2°
H8C24C25H2363.5°59.2°
H8C24C25H2457.8°60.8°
H9C28C27H2663.6°60.0°
H9C28C27H27176.7°180.0°
H10C28C27H2655.5°180.0°
H10C28C27H2764.2°59.9°
H11C01C03H135.2°0.3°
H12C02C03H133.2°0.0°
H12C02C04H140.1°0.1°
H21C23C27H26153.2°55.2°
H21C23C27H2733.5°175.2°
H22C23C27H2689.4°175.2°
H22C23C27H27150.9°64.7°
H23C25O26H2560.6°60.0°
H24C25O26H2560.7°60.0°
H29C34C35H300.2°0.1°
H32C39C41H332.0°0.1°
H33C41C43H352.3°0.0°
H34C42C43H351.2°0.1°

258735

PDB entries from 2026-08-26

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