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SummaryGeometryPCM/PTMRelated PDB entries

KKC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O01C37doub1.24Å1.43Å
C04C37sing1.50Å1.54Å
C04C03sing1.51Å1.53Å
C37N01sing1.39Å1.50Å
C03C02sing1.50Å1.53Å
C22C21doub1.38Å1.38ÅAromatic
C22C23sing1.38Å1.37ÅAromatic
C21C20sing1.40Å1.39ÅAromatic
N01C02sing1.39Å1.50Å
N01C41sing1.48Å1.52Å
C26C28doub1.37Å1.37ÅAromatic
C26C25sing1.40Å1.40ÅAromatic
C02O02doub1.24Å1.42Å
C41C23sing1.51Å1.54Å
C23C24doub1.38Å1.39ÅAromatic
C28C29sing1.36Å1.38ÅAromatic
C20C25sing1.49Å1.42Å
C20N39doub1.35Å1.33ÅAromatic
C11C10doub1.37Å1.38ÅAromatic
C11C12sing1.38Å1.39ÅAromatic
C25N40doub1.35Å1.31ÅAromatic
C10C09sing1.38Å1.38ÅAromatic
C12N38doub1.35Å1.35ÅAromatic
C24N39sing1.35Å1.35ÅAromatic
C29C30doub1.37Å1.35ÅAromatic
N39IR2sing2.33Å2.05Å
N40C30sing1.36Å1.36ÅAromatic
N40IR2sing2.24Å2.05Å
C09C08doub1.38Å1.40ÅAromatic
N38C08sing1.32Å1.36ÅAromatic
N38IR2sing2.17Å2.06Å
C08C13sing1.47Å1.47Å
IR2N37sing2.13Å2.06Å
IR2C19sing2.11Å2.00Å
IR2C07sing2.06Å2.01Å
C32N37doub1.34Å1.35ÅAromatic
C32C31sing1.38Å1.37ÅAromatic
C13C19doub1.35Å1.42ÅAromatic
C13C14sing1.39Å1.39ÅAromatic
N37C05sing1.33Å1.37ÅAromatic
F01C14sing1.34Å1.35Å
C19C18sing1.41Å1.41ÅAromatic
C31C27doub1.37Å1.39ÅAromatic
C14C15doub1.37Å1.38ÅAromatic
C07C06doub1.39Å1.39ÅAromatic
C07C33sing1.38Å1.42ÅAromatic
C06C36sing1.38Å1.38ÅAromatic
C18C17doub1.38Å1.37ÅAromatic
C05C33sing1.47Å1.46Å
C05C16doub1.38Å1.40ÅAromatic
C15C17sing1.35Å1.38ÅAromatic
C27C16sing1.38Å1.38ÅAromatic
C33C34doub1.39Å1.39ÅAromatic
C17F02sing1.37Å1.36Å
C36F04sing1.37Å1.34Å
C36C35doub1.36Å1.37ÅAromatic
C34C35sing1.37Å1.38ÅAromatic
C34F03sing1.34Å1.35Å
C10H1sing0.94Å1.08Å
C15H2sing0.94Å1.08Å
C21H3sing0.94Å1.08Å
C22H4sing0.94Å1.08Å
C24H5sing0.94Å1.08Å
C11H6sing0.94Å1.08Å
C12H7sing0.94Å1.08Å
C16H8sing0.94Å1.08Å
C18H9sing0.94Å1.08Å
C03H10sing0.97Å1.10Å
C03H11sing0.97Å1.10Å
C04H12sing0.97Å1.10Å
C04H13sing0.97Å1.10Å
C06H14sing0.94Å1.08Å
C09H15sing0.94Å1.08Å
C26H16sing0.94Å1.08Å
C27H17sing0.94Å1.08Å
C28H18sing0.94Å1.08Å
C29H19sing0.94Å1.08Å
C30H20sing0.93Å1.08Å
C31H21sing0.94Å1.08Å
C32H22sing0.94Å1.08Å
C35H23sing0.94Å1.08Å
C41H24sing0.98Å1.10Å
C41H25sing0.98Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O01C37C04127.4°125.8°
O01C37N01127.4°125.6°
C37C04C03105.9°105.3°
C04C37N01103.6°108.5°
C37C04H12110.4°110.6°
C37C04H13110.4°110.6°
C04C03C02106.2°105.2°
C04C03H10110.3°110.8°
C04C03H11110.3°110.8°
C03C04H12110.4°110.8°
C03C04H13110.3°110.8°
C37N01C02112.4°111.8°
C37N01C41118.5°124.1°
C03C02N01100.1°108.3°
C03C02O02125.6°126.1°
C02C03H10110.3°110.6°
C02C03H11110.3°110.7°
C21C22C23119.6°120.1°
C22C21C20120.0°119.6°
C22C21H3120.0°119.5°
C21C22H4120.2°119.8°
C22C23C41120.2°121.9°
C22C23C24117.5°116.3°
C23C22H4120.2°120.1°
C21C20C25124.3°122.1°
C21C20N39121.1°121.7°
C20C21H3120.0°120.9°
C02N01C41119.7°124.0°
N01C02O02125.9°125.6°
N01C41C23113.7°113.7°
N01C41H24108.4°109.3°
N01C41H25108.4°108.5°
C28C26C25118.8°119.9°
C26C28C29119.8°119.1°
C28C26H16120.6°119.4°
C26C28H18120.1°120.4°
C26C25C20122.6°122.5°
C26C25N40121.1°121.7°
C25C26H16120.6°120.6°
C41C23C24122.3°121.8°
C23C41H24108.4°108.5°
C23C41H25108.4°109.1°
C23C24N39123.2°125.7°
C23C24H5118.4°116.2°
C28C29C30118.2°118.4°
C29C28H18120.1°120.5°
C28C29H19120.9°120.8°
C25C20N39114.6°116.1°
C20C25N40116.3°115.8°
C20N39C24118.6°116.3°
C20N39IR2116.2°114.8°
C10C11C12118.2°117.9°
C11C10C09120.2°118.6°
C11C10H1119.9°120.8°
C10C11H6120.9°121.1°
C11C12N38121.8°123.3°
C12C11H6120.9°121.0°
C11C12H7119.1°118.5°
C25N40C30119.5°116.1°
C25N40IR2116.0°117.9°
C10C09C08120.2°118.6°
C09C10H1119.9°120.6°
C10C09H15119.9°120.0°
C12N38C08120.8°116.3°
C12N38IR2123.3°122.1°
N38C12H7119.1°117.9°
C24N39IR2125.2°128.4°
N39C24H5118.4°117.7°
C29C30N40122.7°124.7°
C30C29H19120.9°120.8°
C29C30H20118.7°117.0°
N39IR2N4076.9°72.4°
N39IR2N3881.1°61.0°
N39IR2N3799.2°144.7°
N39IR2C1994.7°112.0°
N39IR2C07177.5°130.7°
C30N40IR2124.6°123.8°
N40C30H20118.7°118.3°
N40IR2N38100.1°109.1°
N40IR2N3786.3°80.0°
N40IR2C19171.3°165.1°
N40IR2C07100.8°85.3°
C09C08N38118.8°121.6°
C09C08C13127.6°122.0°
C08C09H15119.9°119.7°
C08N38IR2115.9°96.5°
N38C08C13113.6°111.8°
N38IR2N37173.5°110.2°
N38IR2C1980.8°84.9°
N38IR2C07100.2°164.8°
C08C13C19115.8°111.2°
C08C13C14126.6°123.7°
N37IR2C1992.7°100.3°
N37IR2C0779.7°66.4°
IR2N37C32125.5°118.2°
IR2N37C05117.0°120.4°
C19IR2C0787.5°81.3°
IR2C19C13113.9°97.6°
IR2C19C18127.1°128.5°
IR2C07C06127.0°114.4°
IR2C07C33115.3°127.4°
N37C32C31124.0°124.3°
C32N37C05117.5°116.2°
N37C32H22118.0°117.7°
C32C31C27118.6°118.4°
C32C31H21120.7°120.8°
C31C32H22118.0°118.0°
C19C13C14117.6°125.0°
C13C19C18119.0°113.1°
C13C14F01120.8°120.9°
C13C14C15123.8°119.0°
N37C05C33112.9°111.8°
N37C05C16120.5°123.4°
F01C14C15115.4°120.1°
C19C18C17119.8°123.4°
C19C18H9120.1°121.0°
C31C27C16118.7°118.8°
C31C27H17120.7°120.6°
C27C31H21120.7°120.9°
C14C15C17117.0°119.1°
C14C15H2121.5°120.5°
C06C07C33117.6°116.6°
C07C06C36119.3°120.6°
C07C06H14120.3°120.1°
C07C33C05115.1°103.4°
C07C33C34119.7°123.0°
C06C36F04117.0°120.0°
C06C36C35125.3°121.3°
C36C06H14120.3°118.9°
C18C17C15122.7°120.2°
C18C17F02120.0°120.6°
C17C18H9120.1°115.3°
C33C05C16126.6°124.8°
C05C33C34125.2°133.4°
C05C16C27120.6°118.8°
C05C16H8119.7°120.6°
C15C17F02117.2°119.2°
C17C15H2121.5°120.5°
C27C16H8119.7°120.5°
C16C27H17120.6°120.5°
C33C34C35122.6°118.4°
C33C34F03120.9°122.6°
F04C36C35117.7°118.7°
C36C35C34115.5°119.9°
C36C35H23122.3°120.1°
C35C34F03116.5°119.0°
C34C35H23122.3°120.0°
H10C03H11109.5°108.7°
H12C04H13109.5°108.7°
H24C41H25109.4°107.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O01C37C04N01166.3°179.9°
O01C37C04C03154.6°176.5°
O01C37N01C02177.0°177.6°
O01C37N01C4136.6°0.8°
O01C37C04H1235.2°63.8°
O01C37C04H1385.9°56.7°
C37C04C03H12119.4°119.6°
C37C04C03H13119.5°119.6°
C37C04C03C0229.5°7.6°
C04C37N01C0210.7°2.5°
C04C37N01C41157.1°179.2°
C37C04C03H1090.0°127.1°
C37C04C03H11149.0°112.1°
C37C04H12H13121.7°121.6°
C03C04C37N0111.7°3.5°
C04C03C02H10119.5°119.7°
C04C03C02H11119.5°119.7°
C04C03C02N0134.1°9.3°
C04C03C02O02176.6°171.7°
C04C03H10H11121.5°122.0°
C03C04H12H13121.6°122.0°
C37N01C02C0327.9°7.5°
C37N01C02C41146.0°178.4°
C37N01C02O02177.1°173.5°
C37N01C41C23102.2°126.2°
N01C37C04H12131.1°116.3°
N01C37C04H13107.8°123.2°
C37N01C41H2418.4°4.8°
C37N01C41H25137.1°112.2°
C03C02N01O02149.2°179.0°
C03C02N01C41173.9°174.1°
C02C03H10H11121.5°121.7°
C02C03C04H12148.9°112.0°
C02C03C04H1390.0°127.2°
C21C22C23H4180.0°179.5°
C22C21C20H3180.0°177.2°
C21C22C23C41179.5°180.0°
C21C22C23C241.2°1.0°
C22C21C20C25179.9°178.4°
C22C21C20N390.7°0.5°
C23C22C21C200.5°1.9°
C22C23C41N0192.0°121.3°
C22C23C41C24178.2°179.0°
C22C23C24N390.8°5.7°
C23C22C21H3179.5°179.1°
C22C23C24H5179.2°178.6°
C22C23C41H2428.7°116.9°
C22C23C41H25147.4°0.0°
C21C20C25C260.0°18.5°
C21C20C25N39179.4°178.0°
C21C20C25N40179.3°161.5°
C21C20N39C241.2°3.7°
C21C20N39IR2179.3°168.5°
C20C21C22H4179.5°178.6°
C02N01C41C2341.7°55.7°
N01C02C03H1085.4°129.0°
N01C02C03H11153.6°110.4°
C02N01C41H24162.3°177.1°
C02N01C41H2578.9°65.9°
C41N01C02O0236.9°4.9°
N01C41C23H24120.7°121.8°
N01C41C23H25120.6°121.2°
N01C41C23C2489.8°59.7°
N01C41H24H25118.1°117.6°
C28C26C25H16180.0°178.4°
C26C28C29H18180.0°179.4°
C28C26C25C20179.9°179.6°
C28C26C25N400.6°0.4°
C26C28C29C300.1°0.3°
C26C28C29H19179.9°179.5°
C25C26C28C290.1°0.9°
C26C25C20N40179.3°179.9°
C26C25C20N39179.4°159.6°
C26C25N40C301.4°0.6°
C26C25N40IR2180.0°162.8°
C25C26C28H18179.9°179.7°
O02C02C03H1063.9°52.0°
O02C02C03H1157.1°68.5°
C41C23C24N39179.0°175.2°
C41C23C22H40.5°0.5°
C41C23C24H50.9°2.3°
C23C41H24H25118.0°117.9°
C23C24N39C200.4°7.0°
C23C24N39H5180.0°172.8°
C23C24N39IR2178.3°164.0°
C24C23C22H4178.8°178.5°
C24C23C41H24149.5°62.1°
C24C23C41H2530.8°179.0°
C28C29C30H19180.0°179.8°
C28C29C30N401.0°0.8°
C29C28C26H16179.9°179.3°
C28C29C30H20179.0°179.8°
C25C20N39C24179.4°174.4°
C25C20N39IR21.3°13.4°
C20C25N40C30179.2°179.3°
C20C25N40IR20.6°17.3°
C25C20C21H30.1°4.4°
C20C25C26H160.1°1.3°
N39C20C25N401.3°20.5°
C20N39C24IR2177.9°171.0°
C20N39IR2N400.8°3.6°
C20N39IR2N38101.8°120.9°
C20N39IR2N3784.8°36.6°
C20N39IR2C19178.3°168.5°
C20N39IR2C0721.7°70.9°
N39C20C21H3179.3°177.7°
C20N39C24H5179.6°179.9°
C10C11C12H6180.0°179.3°
C11C10C09H1180.0°177.9°
C10C11C12N380.1°4.2°
C11C10C09C080.0°10.5°
C10C11C12H7179.9°178.6°
C11C10C09H15180.0°175.8°
C12C11C10C090.0°2.4°
C11C12N38H7180.0°174.5°
C11C12N38C080.3°14.0°
C11C12N38IR2179.8°103.3°
C12C11C10H1180.0°179.7°
C25N40C30C291.7°1.2°
C25N40IR2N390.1°7.7°
C25N40C30IR2178.5°162.3°
C25N40IR2N3878.3°57.4°
C25N40IR2N37100.4°165.5°
C25N40IR2C1916.8°102.2°
C25N40IR2C07179.2°127.7°
N40C25C26H16179.4°178.8°
C25N40C30H20178.4°179.8°
C10C09C08H15180.0°165.4°
C10C09C08N380.2°21.4°
C10C09C08C13179.9°175.2°
C09C10C11H6180.0°176.9°
C12N38IR2N3983.5°97.6°
C12N38IR2N408.6°41.5°
C12N38C08C090.3°22.6°
C12N38C08IR2179.9°130.8°
C12N38C08C13180.0°178.7°
C12N38IR2N37177.1°44.6°
C12N38IR2C19179.8°143.7°
C12N38IR2C0794.4°118.8°
N38C12C11H6179.9°175.1°
C24N39IR2N40178.7°174.7°
C24N39IR2N3876.1°50.1°
C24N39IR2N3797.3°134.5°
C24N39IR2C193.8°20.4°
C24N39IR2C07160.4°118.0°
C29C30N40H20180.0°179.0°
C29C30N40IR2179.8°161.0°
C30C29C28H18179.9°179.7°
N39IR2N40C30178.5°169.7°
N39IR2N40N3878.4°49.6°
N39IR2N40N37100.4°157.7°
N39IR2N40C1916.8°109.9°
N39IR2N40C07179.1°135.4°
N39IR2N38C0896.4°135.7°
N39IR2N38N3793.7°142.2°
N39IR2N38C1996.3°118.7°
N39IR2N38C07177.9°143.6°
N39IR2N37C1995.2°156.4°
N39IR2N37C07177.7°127.9°
N39IR2C19C07179.0°130.5°
N39IR2N37C322.4°49.1°
N39IR2C19C1380.5°38.5°
N39IR2N37C05178.5°157.1°
N39IR2C19C1899.9°89.1°
N39IR2C07C06117.0°24.0°
N39IR2C07C3364.3°171.2°
IR2N39C24H51.7°8.9°
C30N40IR2N38103.2°140.6°
C30N40IR2N3778.1°32.5°
C30N40IR2C19161.7°59.8°
C30N40IR2C070.6°34.3°
N40C30C29H19179.0°179.4°
N40IR2N38C08171.3°168.2°
N40IR2N38N37168.6°86.1°
N40IR2N38C19171.2°174.8°
N40IR2N38C07103.0°160.3°
N40IR2N37C19171.3°164.9°
N40IR2N37C07101.7°89.2°
N40IR2C19C07162.6°25.8°
N40IR2N37C3278.5°87.8°
N40IR2C19C1396.9°143.3°
N40IR2N37C05102.4°118.4°
N40IR2C19C1883.5°15.6°
N40IR2C07C0696.3°85.9°
N40IR2C07C3385.0°109.3°
IR2N40C30H200.1°17.9°
C09C08N38C13179.7°156.1°
C09C08N38IR2179.8°108.2°
C09C08C13C19179.9°79.5°
C09C08C13C140.3°97.4°
C08C09C10H1180.0°171.6°
C08N38IR2N372.8°82.1°
C08N38IR2C190.1°17.0°
C08N38IR2C0785.7°7.9°
N38C08C13C190.3°76.5°
N38C08C13C14180.0°106.6°
C08N38C12H7179.7°171.5°
N38C08C09H15179.8°173.2°
IR2N38C08C130.1°48.0°
N38IR2N37C192.6°88.3°
N38IR2N37C0789.6°164.1°
N38IR2C19C07100.8°173.6°
N38IR2N37C3290.2°19.0°
N38IR2C19C130.3°17.4°
N38IR2N37C0588.9°134.8°
N38IR2C19C18179.9°145.0°
N38IR2C07C066.1°112.8°
N38IR2C07C33172.5°52.1°
IR2N38C12H70.2°71.1°
C08C13C19IR20.4°48.2°
C08C13C19C14179.7°176.9°
C08C13C14F010.7°4.7°
C08C13C19C18179.9°174.2°
C08C13C14C15179.7°177.2°
C13C08C09H150.1°19.4°
N37IR2C19C0779.5°63.9°
IR2N37C32C05179.1°154.9°
IR2N37C32C31179.8°153.0°
N37IR2C19C13180.0°127.1°
N37IR2C19C180.4°105.3°
N37IR2C07C06179.5°167.0°
N37IR2C07C330.8°28.1°
IR2N37C05C330.5°28.6°
IR2N37C05C16179.7°153.8°
IR2N37C32H220.2°25.2°
C19IR2N37C3292.9°107.3°
IR2C19C13C18179.6°137.7°
IR2C19C13C14179.9°135.0°
C19IR2N37C0586.2°46.5°
C19IR2C07C0686.3°87.6°
C19IR2C07C3392.3°77.2°
IR2C19C18C17179.9°116.0°
IR2C19C18H90.1°58.4°
C07IR2N37C32179.9°177.0°
C07IR2C19C13100.5°169.0°
C07IR2N37C050.8°29.2°
C07IR2C19C1879.1°41.4°
IR2C07C06C33178.6°166.5°
IR2C07C06C36179.1°161.1°
IR2C07C33C050.8°21.6°
IR2C07C33C34179.3°162.4°
IR2C07C06H140.9°11.2°
N37C32C31H22180.0°178.2°
N37C32C31C270.6°1.8°
C32N37C05C33179.7°177.1°
C32N37C05C160.5°0.5°
N37C32C31H21179.4°178.5°
C31C32N37C050.7°1.9°
C32C31C27H21180.0°179.6°
C32C31C27C160.4°0.4°
C32C31C27H17179.6°179.8°
C19C13C14F01179.7°178.8°
C19C13C14C150.1°0.7°
C13C19C18C170.3°5.4°
C13C19C18H9179.7°179.8°
C13C14F01C15179.6°178.1°
C14C13C19C180.2°2.7°
C13C14C15C170.0°1.7°
C13C14C15H2180.0°178.7°
N37C05C33C070.2°5.5°
N37C05C33C16179.8°177.6°
N37C05C16C270.3°0.8°
N37C05C33C34180.0°169.9°
N37C05C16H8179.7°179.8°
C05N37C32H22179.3°179.9°
F01C14C15C17179.6°179.8°
F01C14C15H20.4°0.5°
C19C18C17H9180.0°174.6°
C19C18C17C150.2°4.8°
C19C18C17F02179.7°176.4°
C31C27C16C050.2°0.8°
C31C27C16H17180.0°179.8°
C31C27C16H8179.8°179.8°
C27C31C32H22179.4°179.9°
C14C15C17C180.0°0.9°
C14C15C17H2180.0°179.6°
C14C15C17F02179.9°179.7°
C07C06C36H14180.0°172.4°
C06C07C33C05179.6°173.9°
C06C07C33C340.5°2.1°
C07C06C36F04180.0°176.5°
C07C06C36C350.1°5.3°
C33C07C06C360.5°5.4°
C07C33C05C34179.8°175.4°
C07C33C05C16179.6°176.9°
C07C33C34C350.3°1.4°
C07C33C34F03179.4°179.5°
C33C07C06H14179.5°177.7°
C06C36F04C35179.9°178.3°
C06C36C35C340.2°1.6°
C06C36C35H23179.8°178.3°
C18C17C15F02179.9°178.8°
C18C17C15H2180.0°178.7°
C33C05C16C27179.9°178.1°
C05C33C34C35179.9°176.1°
C05C33C34F030.4°5.9°
C33C05C16H80.0°2.9°
C05C16C27H8180.0°179.0°
C16C05C33C340.3°7.7°
C05C16C27H17179.7°179.0°
C15C17C18H9179.8°179.4°
C16C27C31H21179.6°180.0°
C33C34C35C360.1°1.7°
C33C34C35F03179.7°178.1°
C33C34C35H23179.9°178.4°
F02C17C15H20.1°0.1°
F02C17C18H90.3°1.8°
F04C36C35C34179.7°179.8°
F04C36C06H140.0°4.1°
F04C36C35H230.3°0.0°
C36C35C34H23180.0°179.9°
C36C35C34F03179.8°179.8°
C35C36C06H14179.9°177.7°
F03C34C35H230.2°0.3°
H1C10C11H60.0°1.0°
H1C10C09H150.0°6.3°
H3C21C22H40.5°1.4°
H6C11C12H70.1°0.6°
H8C16C27H170.3°0.0°
H10C03C04H1229.4°7.5°
H10C03C04H13150.5°113.3°
H11C03C04H1291.6°128.3°
H11C03C04H1329.5°7.5°
H16C26C28H180.1°1.3°
H17C27C31H210.4°0.2°
H18C28C29H190.1°0.1°
H19C29C30H200.9°0.4°
H21C31C32H220.6°0.3°

258009

PDB entries from 2026-08-12

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