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SummaryGeometryPCM/PTMRelated PDB entries

MI9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C39C38sing1.52Å1.46Å
C19C18sing1.51Å1.51Å
C42C41sing1.52Å1.47Å
C38C20sing1.51Å1.53Å
C18C20sing1.37Å1.38ÅAromatic
C18C17doub1.38Å1.41ÅAromatic
C20C21doub1.38Å1.40ÅAromatic
C17C16sing1.41Å1.46Å
C17N37sing1.36Å1.34ÅAromatic
C16C15doub1.41Å1.46Å
C41C40sing1.51Å1.51Å
C21N37sing1.35Å1.36ÅAromatic
C21C22sing1.41Å1.44Å
N37MOsing2.12Å2.09Å
C15C40sing1.38Å1.41Å
C15N14sing1.35Å1.31Å
C40C02doub1.37Å1.35Å
C22C23doub1.41Å1.46Å
O36C34doub1.22Å1.27Å
N14C03doub1.36Å1.32Å
N14MOsing2.11Å2.12Å
C02C01sing1.51Å1.50Å
C02C03sing1.38Å1.39Å
C23C25sing1.38Å1.39Å
C23N24sing1.36Å1.36Å
C33C34sing1.51Å1.52Å
C33C32sing1.53Å1.55Å
C26C25sing1.51Å1.50Å
C03C04sing1.41Å1.48Å
C25C27doub1.37Å1.37Å
C34O35sing1.33Å1.24Å
N24MOsing2.12Å2.06Å
N24C28doub1.35Å1.36Å
MON31sing2.12Å2.09Å
MOOdoub1.81Å1.78Å
C27C28sing1.38Å1.39Å
C27C32sing1.51Å1.51Å
C28C29sing1.41Å1.46Å
C04C05doub1.41Å1.47Å
N31C05sing1.36Å1.38Å
N31C30sing1.36Å1.34Å
C05C06sing1.38Å1.39Å
C29C30doub1.41Å1.47Å
C30C08sing1.38Å1.40Å
C06C08doub1.37Å1.39Å
C06C07sing1.51Å1.51Å
C08C09sing1.51Å1.51Å
C09C10sing1.53Å1.51Å
C10C11sing1.50Å1.53Å
O12C11doub1.22Å1.25Å
C11O13sing1.31Å1.25Å
O35H1sing0.88Å0.95Å
C33H2sing0.99Å1.10Å
C33H3sing0.98Å1.10Å
C32H4sing0.98Å1.10Å
C32H5sing0.98Å1.10Å
C29H6sing0.95Å1.08Å
C09H7sing0.98Å1.10Å
C09H8sing0.98Å1.10Å
C10H9sing0.99Å1.10Å
C10H10sing0.99Å1.10Å
O13H11sing0.88Å0.95Å
C07H12sing0.97Å1.10Å
C07H13sing0.97Å1.10Å
C07H14sing0.97Å1.10Å
C04H15sing0.94Å1.08Å
C26H16sing0.97Å1.10Å
C26H17sing0.97Å1.10Å
C26H18sing0.97Å1.10Å
C22H19sing0.95Å1.08Å
C38H20sing0.98Å1.10Å
C38H21sing0.99Å1.10Å
C39H22sing0.97Å1.10Å
C39H23sing0.98Å1.10Å
C39H24sing0.98Å1.10Å
C19H25sing0.97Å1.10Å
C19H26sing0.97Å1.10Å
C19H27sing0.97Å1.10Å
C16H28sing0.95Å1.08Å
C41H29sing0.98Å1.10Å
C41H30sing0.98Å1.10Å
C42H31sing0.98Å1.10Å
C42H32sing0.97Å1.10Å
C42H33sing0.97Å1.10Å
C01H34sing0.97Å1.10Å
C01H35sing0.97Å1.10Å
C01H36sing0.97Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C39C38C20109.8°112.7°
C39C38H20109.4°108.9°
C39C38H21109.4°108.8°
C38C39H22109.5°109.5°
C38C39H23109.5°109.5°
C38C39H24109.4°109.5°
C19C18C20127.7°125.6°
C19C18C17127.0°127.0°
C18C19H25109.5°110.1°
C18C19H26109.5°110.0°
C18C19H27109.5°109.6°
C42C41C40113.2°112.7°
C42C41H29108.5°108.9°
C42C41H30108.5°108.8°
C41C42H31109.5°109.5°
C41C42H32109.5°109.6°
C41C42H33109.5°109.6°
C38C20C18126.9°126.4°
C38C20C21128.3°126.2°
C20C38H20109.4°109.8°
C20C38H21109.4°109.3°
C20C18C17105.2°107.4°
C18C20C21104.7°107.3°
C18C17C16125.6°128.3°
C18C17N37113.8°108.8°
C20C21N37113.6°108.6°
C20C21C22124.3°127.8°
C16C17N37120.6°122.9°
C17C16C15129.6°131.4°
C17C16H28115.2°114.4°
C17N37C21102.7°108.0°
C17N37MO129.3°126.2°
C16C15C40125.2°127.8°
C16C15N14122.3°123.6°
C15C16H28115.2°114.1°
C41C40C15125.6°126.2°
C41C40C02129.3°126.5°
C40C41H29108.5°109.8°
C40C41H30108.5°109.3°
N37C21C22122.2°123.6°
C21N37MO127.4°125.9°
C21C22C23129.0°131.4°
C21C22H19115.5°114.1°
N37MON1488.5°90.1°
N37MON2489.8°89.9°
N37MON31165.0°180.0°
N37MOO97.7°90.0°
C40C15N14112.5°108.6°
C15C40C02105.1°107.3°
C15N14C03104.3°107.9°
C15N14MO128.4°125.8°
C40C02C01127.9°125.5°
C40C02C03104.8°107.5°
C22C23C25124.8°128.4°
C22C23N24121.7°122.9°
C23C22H19115.5°114.5°
O36C34C33120.5°122.6°
O36C34O35120.8°121.7°
C03N14MO127.0°126.3°
N14C03C02113.3°108.8°
N14C03C04123.6°123.0°
N14MON24165.1°180.0°
N14MON3190.6°89.9°
N14MOO96.3°90.0°
C01C02C03127.3°127.0°
C02C01H34109.5°110.2°
C02C01H35109.4°110.0°
C02C01H36109.5°109.5°
C02C03C04123.1°128.3°
C25C23N24113.5°108.6°
C23C25C26128.5°127.1°
C23C25C27106.4°107.5°
C23N24MO128.0°126.2°
C23N24C28100.9°107.9°
C34C33C32112.2°113.7°
C33C34O35118.7°115.7°
C34C33H2108.8°108.3°
C34C33H3108.8°109.2°
C33C32C27108.0°114.1°
C32C33H2108.8°108.8°
C32C33H3108.8°109.1°
C33C32H4109.8°108.5°
C33C32H5109.8°108.7°
C26C25C27125.0°125.3°
C25C26H16109.5°110.0°
C25C26H17109.5°110.2°
C25C26H18109.5°109.5°
C03C04C05128.4°131.6°
C03C04H15115.8°114.1°
C25C27C28103.9°107.2°
C25C27C32125.6°126.4°
C34O35H1109.5°117.1°
MON24C28130.5°125.8°
N24MON3187.2°90.1°
N24MOO98.6°90.0°
N24C28C27115.3°108.7°
N24C28C29121.7°123.5°
N31MOO97.3°90.0°
MON31C05126.8°126.2°
MON31C30131.3°125.8°
C28C27C32130.5°126.4°
C27C28C29123.0°127.9°
C27C32H4109.9°109.3°
C27C32H5109.8°109.8°
C28C29C30127.8°131.2°
C28C29H6116.1°114.4°
C04C05N31122.2°123.0°
C04C05C06123.8°128.4°
C05C04H15115.8°114.3°
C05N31C30101.7°108.0°
N31C05C06113.9°108.7°
N31C30C29120.3°123.6°
N31C30C08114.4°108.6°
C05C06C08104.9°107.6°
C05C06C07126.4°127.1°
C29C30C08125.1°127.8°
C30C29H6116.1°114.4°
C30C08C06104.9°107.2°
C30C08C09128.3°126.3°
C08C06C07128.6°125.3°
C06C08C09126.8°126.4°
C06C07H12109.5°110.0°
C06C07H13109.4°110.3°
C06C07H14109.5°109.5°
C08C09C10110.4°114.2°
C08C09H7109.2°109.8°
C08C09H8109.3°109.3°
C09C10C11115.6°113.6°
C10C09H7109.3°108.7°
C10C09H8109.3°108.6°
C09C10H9107.9°109.1°
C09C10H10107.9°109.0°
C10C11O12119.3°123.7°
C10C11O13116.6°112.9°
C11C10H9107.9°108.9°
C11C10H10107.9°108.6°
O12C11O13124.0°123.4°
C11O13H11109.5°112.2°
H2C33H3109.5°107.6°
H4C32H5109.5°106.0°
H7C09H8109.5°106.0°
H9C10H10109.5°107.6°
H12C07H13109.5°108.5°
H12C07H14109.5°109.3°
H13C07H14109.5°109.2°
H16C26H17109.4°108.6°
H16C26H18109.5°109.2°
H17C26H18109.5°109.3°
H20C38H21109.5°107.2°
H22C39H23109.5°109.5°
H22C39H24109.5°109.4°
H23C39H24109.5°109.4°
H25C19H26109.5°108.5°
H25C19H27109.5°109.3°
H26C19H27109.4°109.3°
H29C41H30109.5°107.2°
H31C42H32109.4°109.4°
H31C42H33109.5°109.4°
H32C42H33109.5°109.4°
H34C01H35109.5°108.4°
H34C01H36109.4°109.3°
H35C01H36109.5°109.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C39C38C20H20120.1°121.6°
C39C38C20H21120.1°121.1°
C39C38C20C1888.2°92.9°
C39C38C20C2196.4°86.8°
C39C38H20H21119.9°117.6°
C38C39H22H23120.0°120.1°
C38C39H22H24120.0°120.0°
C38C39H23H24120.0°120.0°
C19C18C20C382.7°0.4°
C19C18C20C17178.8°179.6°
C19C18C20C21179.0°179.8°
C19C18C17C162.0°0.2°
C19C18C17N37179.0°179.8°
C18C19H25H26120.0°120.5°
C18C19H25H27120.0°120.4°
C18C19H26H27120.0°120.4°
C42C41C40H29120.6°121.6°
C42C41C40H30120.5°121.0°
C42C41C40C15109.1°86.5°
C42C41C40C0271.1°93.0°
C42C41H29H30118.3°117.5°
C41C42H31H32120.0°120.1°
C41C42H31H33120.0°120.1°
C41C42H32H33120.0°120.1°
C38C20C18C21176.3°179.7°
C38C20C18C17176.1°180.0°
C38C20C21N37176.0°179.9°
C38C20C21C223.3°0.1°
C20C38H20H21119.8°118.6°
C20C38C39H22180.0°180.0°
C20C38C39H2360.0°59.9°
C20C38C39H2460.0°60.0°
C20C18C17C16179.2°179.8°
C20C18C17N370.2°0.3°
C18C20C21N370.2°0.2°
C18C20C21C22179.6°179.6°
C18C20C38H2031.9°28.7°
C18C20C38H21151.8°146.1°
C20C18C19H2589.3°156.7°
C20C18C19H26150.7°37.1°
C20C18C19H2730.8°83.1°
C17C18C20C210.3°0.3°
C18C17C16N37178.9°179.9°
C18C17C16C15178.9°179.7°
C18C17N37C210.1°0.2°
C18C17N37MO172.3°179.6°
C17C18C19H2589.2°23.8°
C17C18C19H2630.8°143.4°
C17C18C19H27150.7°96.4°
C18C17C16H281.1°0.1°
C20C21N37C170.1°0.0°
C20C21N37C22179.4°179.8°
C20C21N37MO172.3°179.4°
C20C21C22C23177.8°179.2°
C20C21C22H192.2°2.0°
C21C20C38H20143.6°151.6°
C21C20C38H2123.7°34.3°
C17C16C15H28180.0°179.9°
C16C17N37C21179.1°179.9°
C16C17N37MO8.7°0.4°
C17C16C15C40178.8°179.8°
C17C16C15N140.3°0.2°
N37C17C16C150.1°0.3°
C17N37C21MO172.4°179.4°
C17N37C21C22179.5°179.8°
C17N37MON1411.9°0.1°
C17N37MON24177.0°179.8°
C17N37MON3198.6°90.0°
C17N37MOO84.3°90.1°
N37C17C16H28179.9°179.8°
C16C15C40C410.9°0.2°
C16C15C40N14178.6°180.0°
C16C15C40C02179.3°179.7°
C16C15N14C03178.5°180.0°
C16C15N14MO7.8°0.5°
C41C40C15C02179.8°179.6°
C41C40C15N14177.7°179.9°
C41C40C02C011.3°0.4°
C41C40C02C03179.4°180.0°
C40C41H29H30118.3°118.7°
C40C41C42H31180.0°180.0°
C40C41C42H3260.0°60.0°
C40C41C42H3360.0°60.0°
N37C21C22C232.9°1.0°
C21N37MON14177.8°179.5°
C21N37MON2412.6°0.5°
C21N37MON3191.1°90.0°
C21N37MOO86.0°90.5°
N37C21C22H19177.1°177.8°
C22C21N37MO7.1°0.8°
C21C22C23H19180.0°178.8°
C21C22C23C25176.3°179.2°
C21C22C23N241.4°1.0°
N37MON14C1511.3°0.3°
N37MON14C03176.3°179.7°
N37MON14N2483.5°112.1°
N37MON14N31165.0°180.0°
N37MON14O97.5°90.0°
N37MON24C2314.1°0.5°
N37MON24N31165.3°180.0°
N37MON24O97.7°90.0°
N37MON24C28176.1°179.9°
N37MON31O177.1°90.0°
N37MON31C0598.1°90.0°
N37MON31C3089.3°90.0°
C40C15N14C032.9°0.0°
C40C15N14MO170.8°179.5°
C15C40C02C01178.9°180.0°
C15C40C02C030.4°0.4°
C40C15C16H281.2°0.3°
C15C40C41H29130.3°151.9°
C15C40C41H3011.4°34.5°
N14C15C40C022.1°0.3°
C15N14C03MO173.8°179.4°
C15N14C03C022.6°0.2°
C15N14C03C04179.3°179.9°
C15N14MON2494.9°112.4°
C15N14MON31176.4°179.7°
C15N14MOO86.2°89.7°
N14C15C16H28179.7°179.7°
C40C02C03N141.4°0.4°
C40C02C01C03179.1°179.5°
C40C02C03C04179.5°179.7°
C02C40C41H2949.4°28.6°
C02C40C41H30168.3°146.0°
C40C02C01H34180.0°156.6°
C40C02C01H3560.0°37.1°
C40C02C01H3660.0°83.1°
C22C23C25N24177.9°179.8°
C22C23C25C266.0°0.0°
C22C23C25C27177.8°179.5°
C22C23N24MO10.0°0.8°
C22C23N24C28177.8°179.7°
O36C34C33O35178.7°179.9°
O36C34C33C32126.0°98.9°
O36C34O35H10.0°180.0°
O36C34C33H2113.6°22.1°
O36C34C33H35.5°139.0°
N14C03C02C01179.3°180.0°
N14C03C02C04178.1°179.9°
C03N14MON2492.8°68.2°
C03N14MON3111.3°0.3°
C03N14MOO86.1°89.7°
N14C03C04C051.9°1.0°
N14C03C04H15178.1°177.7°
MON14C03C02171.2°179.2°
N14MON24C2397.5°111.7°
MON14C03C046.9°0.7°
N14MON24N3182.0°67.9°
N14MON24O178.9°157.9°
N14MON24C2892.7°67.8°
N14MON31O96.5°90.0°
N14MON31C0511.7°0.3°
N14MON31C30175.7°179.8°
C01C02C03C041.3°0.1°
C02C01H34H35120.0°120.5°
C02C01H34H36120.0°120.4°
C02C01H35H36120.0°120.3°
C02C03C04C05179.8°178.9°
C02C03C04H150.2°2.4°
C03C02C01H340.9°23.9°
C03C02C01H35119.1°143.4°
C03C02C01H36120.9°96.4°
C23C25C26C27175.5°179.3°
C25C23N24MO172.0°179.4°
C25C23N24C280.1°0.1°
C23C25C27C280.0°0.5°
C23C25C27C32178.2°179.8°
C23C25C26H16180.0°140.7°
C23C25C26H1760.0°21.0°
C23C25C26H1860.0°99.2°
C25C23C22H193.7°2.0°
N24C23C25C26176.1°179.8°
N24C23C25C270.1°0.4°
C23N24MOC28169.8°179.4°
C23N24MON31179.4°179.5°
C23N24MOO83.6°90.5°
C23N24C28C270.2°0.2°
C23N24C28C29177.9°179.8°
N24C23C22H19178.6°177.8°
C34C33C32H2120.4°120.7°
C34C33C32H3120.4°122.2°
C34C33C32C27178.9°176.7°
C33C34O35H1178.6°0.2°
C34C33H2H3118.7°117.9°
C34C33C32H459.1°54.6°
C34C33C32H561.3°60.3°
C33C32C27C2587.4°91.1°
C32C33C34O3552.7°81.2°
C33C32C27C2890.2°88.2°
C33C32C27H4119.8°121.7°
C33C32C27H5119.8°122.4°
C32C33H2H3118.8°118.1°
C33C32H4H5120.7°116.6°
C26C25C27C28176.4°179.9°
C26C25C27C325.5°0.7°
C25C26H16H17120.0°120.7°
C25C26H16H18120.0°120.2°
C25C26H17H18120.0°120.4°
C03C04C05H15180.0°178.7°
C03C04C05N311.4°0.9°
C03C04C05C06179.8°178.8°
C25C27C28N240.1°0.4°
C25C27C28C32178.0°179.4°
C25C27C28C29177.8°179.6°
C25C27C32H432.4°147.2°
C25C27C32H5152.9°31.3°
C27C25C26H164.5°40.0°
C27C25C26H17115.5°159.6°
C27C25C26H18124.5°80.1°
O35C34C33H267.7°157.8°
O35C34C33H3173.1°40.9°
N24MON31O98.3°90.0°
MON24C28C27171.7°179.7°
MON24C28C296.1°0.3°
N24MON31C05176.9°179.8°
N24MON31C3010.5°0.3°
C28N24MON3110.8°0.1°
C28N24MOO86.2°90.1°
N24C28C27C29177.7°180.0°
N24C28C27C32178.1°179.8°
N24C28C29C304.5°0.2°
N24C28C29H6175.6°179.8°
MON31C05C047.9°0.6°
MON31C05C30174.3°179.6°
MON31C05C06171.0°179.2°
MON31C30C295.3°0.4°
MON31C30C08170.8°179.6°
OMON31C0584.8°89.7°
OMON31C3087.8°89.8°
C27C28C29C30178.0°179.8°
C28C27C32H4150.0°33.5°
C28C27C32H529.5°149.4°
C27C28C29H62.0°0.2°
C32C27C28C294.2°0.2°
C27C32C33H260.7°62.5°
C27C32C33H358.5°54.6°
C27C32H4H5120.7°118.3°
C28C29C30N314.8°0.2°
C28C29C30H6180.0°180.0°
C28C29C30C08179.6°179.8°
C04C05N31C06178.9°179.8°
C04C05N31C30177.8°179.9°
C04C05C06C08178.8°179.7°
C04C05C06C071.8°0.3°
C05N31C30C29179.2°180.0°
C05N31C30C083.1°0.0°
N31C05C06C082.3°0.6°
N31C05C06C07177.0°179.9°
N31C05C04H15178.6°177.7°
C30N31C05C063.3°0.4°
N31C30C29C08175.6°180.0°
N31C30C08C061.9°0.3°
N31C30C08C09179.3°179.7°
N31C30C29H6175.2°179.8°
C05C06C08C300.2°0.5°
C05C06C08C07179.3°179.4°
C05C06C08C09178.5°179.9°
C05C06C07H12180.0°141.3°
C05C06C07H1360.0°21.6°
C05C06C07H1460.0°98.6°
C06C05C04H150.2°2.5°
C29C30C08C06177.8°179.6°
C29C30C08C093.5°0.3°
C30C08C06C09178.8°179.4°
C30C08C06C07179.1°179.9°
C30C08C09C1087.2°88.2°
C08C30C29H60.4°0.2°
C30C08C09H732.9°149.5°
C30C08C09H8152.7°33.6°
C06C08C09C1094.3°91.1°
C06C08C09H7145.6°31.2°
C06C08C09H825.9°147.1°
C08C06C07H120.8°39.5°
C08C06C07H13120.8°159.1°
C08C06C07H14119.2°80.6°
C07C06C08C092.1°0.7°
C06C07H12H13120.0°120.7°
C06C07H12H14120.0°120.2°
C06C07H13H14120.0°120.4°
C08C09C10H7120.1°123.0°
C08C09C10H8120.1°122.1°
C08C09C10C11175.5°174.5°
C08C09H7H8119.6°117.9°
C08C09C10H954.6°52.9°
C08C09C10H1063.6°64.3°
C09C10C11H9120.9°121.7°
C09C10C11H10120.9°121.4°
C09C10C11O129.5°94.0°
C09C10C11O13169.2°86.0°
C10C09H7H8119.6°116.5°
C09C10H9H10117.2°118.1°
C10C11O12O13178.6°180.0°
C11C10C09H764.4°62.6°
C11C10C09H855.3°52.3°
C11C10H9H10117.2°117.5°
C10C11O13H11178.7°180.0°
O12C11C10H9111.4°144.4°
O12C11C10H10130.4°27.4°
O12C11O13H110.0°0.0°
O13C11C10H969.9°35.7°
O13C11C10H1048.4°152.6°
H2C33C32H4179.5°175.4°
H2C33C32H559.1°60.5°
H3C33C32H461.3°67.6°
H3C33C32H5178.2°177.5°
H7C09C10H9174.7°175.9°
H7C09C10H1056.5°58.6°
H8C09C10H965.6°69.2°
H8C09C10H10176.2°173.5°
H12C07H13H14120.0°119.1°
H16C26H17H18120.0°119.0°
H20C38C39H2259.9°58.0°
H20C38C39H2360.1°62.1°
H20C38C39H24180.0°177.9°
H21C38C39H2260.0°58.6°
H21C38C39H23180.0°178.7°
H21C38C39H2460.0°61.3°
H22C39H23H24120.0°119.9°
H25C19H26H27120.0°119.1°
H29C41C42H3159.4°57.9°
H29C41C42H3260.6°62.1°
H29C41C42H33179.4°177.9°
H30C41C42H3159.5°58.6°
H30C41C42H32179.5°178.6°
H30C41C42H3360.5°61.3°
H31C42H32H33120.0°119.8°
H34C01H35H36120.0°119.1°

258735

PDB entries from 2026-08-26

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