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SummaryGeometryRelated PDB entries

A1JH4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O23C22doub1.22Å1.22Å
C27C28doub1.39Å1.38ÅAromatic
C27C26sing1.38Å1.38ÅAromatic
C28C29sing1.39Å1.37ÅAromatic
C26C25sing1.51Å1.51Å
C26N31doub1.32Å1.34ÅAromatic
C25N24sing1.46Å1.46Å
C29C30doub1.38Å1.37ÅAromatic
N31C30sing1.32Å1.34ÅAromatic
C22N24sing1.35Å1.36Å
C22C21sing1.46Å1.49Å
C20C21doub1.38Å1.35ÅAromatic
C20C19sing1.40Å1.40ÅAromatic
N24C32sing1.40Å1.43Å
C21O44sing1.35Å1.37ÅAromatic
C19C18doub1.37Å1.35ÅAromatic
C32C43doub1.39Å1.39ÅAromatic
C32C33sing1.39Å1.39ÅAromatic
O44C18sing1.34Å1.37ÅAromatic
C43C42sing1.38Å1.38ÅAromatic
C18C17sing1.48Å1.46Å
C33C34doub1.38Å1.38ÅAromatic
C42C35doub1.39Å1.39ÅAromatic
C34C35sing1.39Å1.39ÅAromatic
C17C16doub1.40Å1.39ÅAromatic
C17C45sing1.40Å1.39ÅAromatic
C16C15sing1.38Å1.38ÅAromatic
C35N36sing1.40Å1.37Å
C45C46doub1.38Å1.38ÅAromatic
C15O14sing1.36Å1.41Å
C15C47doub1.39Å1.39ÅAromatic
N36C41sing1.47Å1.46Å
N36C37sing1.47Å1.46Å
C46C47sing1.38Å1.38ÅAromatic
O14S11sing1.66Å1.57Å
C41C40sing1.53Å1.51Å
C37C38sing1.53Å1.51Å
C47CL48sing1.74Å1.73Å
O12S11sing1.66Å1.42Å
S11O13sing1.66Å1.42Å
C40N39sing1.47Å1.49Å
C38N39sing1.47Å1.49Å
O13H2sing0.97Å0.95Å
C20H3sing1.08Å1.08Å
C28H4sing1.08Å1.08Å
C16H5sing1.08Å1.08Å
C19H6sing1.08Å1.08Å
C25H7sing1.09Å1.10Å
C25H8sing1.09Å1.10Å
C27H9sing1.08Å1.08Å
C29H10sing1.08Å1.08Å
C30H11sing1.08Å1.08Å
C33H12sing1.08Å1.08Å
C34H13sing1.08Å1.08Å
C37H14sing1.09Å1.10Å
C37H15sing1.09Å1.10Å
C38H16sing1.09Å1.10Å
C38H17sing1.09Å1.10Å
N39H18sing1.01Å1.00Å
C40H20sing1.09Å1.10Å
C40H21sing1.09Å1.10Å
C41H22sing1.09Å1.10Å
C41H23sing1.09Å1.10Å
C42H24sing1.08Å1.08Å
C43H25sing1.08Å1.08Å
C45H26sing1.08Å1.08Å
C46H27sing1.08Å1.08Å
S11O1sing1.66Å1.59Å
O12H1sing0.97Å0.95Å
O1H19sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O23C22N24122.0°120.0°
O23C22C21117.4°120.0°
C28C27C26118.5°119.2°
C27C28C29119.8°118.4°
C27C28H4120.1°120.8°
C28C27H9120.7°120.4°
C27C26C25121.5°119.6°
C27C26N31122.5°120.7°
C26C27H9120.8°120.4°
C28C29C30118.0°119.2°
C29C28H4120.1°120.8°
C28C29H10121.0°120.4°
C25C26N31115.8°119.6°
C26C25N24113.1°109.5°
C26C25H7108.6°109.5°
C26C25H8108.5°109.5°
C26N31C30117.5°121.7°
C25N24C22117.7°120.0°
C25N24C32117.0°120.0°
N24C25H7108.5°109.4°
N24C25H8108.6°109.5°
C29C30N31123.7°120.8°
C30C29H10121.0°120.4°
C29C30H11118.2°119.6°
N31C30H11118.1°119.6°
N24C22C21120.6°120.0°
C22N24C32125.3°120.0°
C22C21C20127.1°125.9°
C22C21O44123.2°126.0°
C21C20C19107.2°106.8°
C20C21O44109.7°108.1°
C21C20H3126.4°126.6°
C20C19C18107.1°107.1°
C19C20H3126.4°126.6°
C20C19H6126.5°126.5°
N24C32C43120.1°120.0°
N24C32C33120.7°120.0°
C21O44C18106.3°109.4°
C19C18O44109.8°108.7°
C19C18C17134.1°125.7°
C18C19H6126.5°126.5°
C43C32C33119.2°120.0°
C32C43C42120.4°120.0°
C32C43H25119.8°120.0°
C32C33C34120.4°119.9°
C32C33H12119.8°120.0°
O44C18C17116.1°125.7°
C43C42C35120.7°120.0°
C43C42H24119.7°120.1°
C42C43H25119.8°120.0°
C18C17C16120.0°120.1°
C18C17C45120.4°120.1°
C33C34C35120.5°120.0°
C34C33H12119.8°120.1°
C33C34H13119.7°119.9°
C42C35C34118.9°120.0°
C42C35N36120.3°120.0°
C35C42H24119.7°119.9°
C34C35N36120.8°120.0°
C35C34H13119.8°120.0°
C16C17C45119.5°119.8°
C17C16C15120.0°119.8°
C17C16H5120.0°120.1°
C17C45C46120.5°119.9°
C17C45H26119.8°120.1°
C16C15O14121.1°120.0°
C16C15C47119.8°120.0°
C15C16H5120.0°120.1°
C35N36C41118.0°111.0°
C35N36C37116.8°111.0°
C45C46C47119.7°120.2°
C46C45H26119.7°120.0°
C45C46H27120.1°119.9°
O14C15C47119.0°120.0°
C15O14S11119.2°114.0°
C15C47C46120.5°120.2°
C15C47CL48119.5°119.9°
C41N36C37111.1°110.9°
N36C41C40110.4°109.4°
N36C41H22109.2°109.5°
N36C41H23109.2°109.5°
N36C37C38110.4°109.4°
N36C37H14109.2°109.5°
N36C37H15109.3°109.5°
C46C47CL48120.0°119.9°
C47C46H27120.2°119.9°
O14S11O12105.2°90.0°
O14S11O13107.1°90.0°
O14S11O1106.1°120.0°
C41C40N39110.3°109.4°
C41C40H20109.3°109.5°
C41C40H21109.3°109.5°
C40C41H22109.3°109.5°
C40C41H23109.3°109.4°
C37C38N39110.2°109.3°
C38C37H14109.2°109.5°
C38C37H15109.2°109.5°
C37C38H16109.3°109.5°
C37C38H17109.3°109.5°
O12S11O13121.1°180.0°
O12S11O1108.3°90.0°
S11O12H1109.5°114.1°
S11O13H2109.5°114.0°
O13S11O1108.1°90.0°
C40N39C38111.5°110.9°
C40N39H18109.0°111.0°
N39C40H20109.3°109.5°
N39C40H21109.3°109.5°
N39C38H16109.3°109.5°
N39C38H17109.3°109.5°
C38N39H18108.9°111.0°
H7C25H8109.5°109.5°
H14C37H15109.5°109.5°
H16C38H17109.5°109.5°
H20C40H21109.5°109.5°
H22C41H23109.5°109.5°
S11O1H19109.5°114.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O23C22N24C255.0°173.9°
O23C22N24C21179.9°180.0°
O23C22C21C2013.3°5.4°
O23C22N24C32174.8°6.1°
O23C22C21O44163.2°174.7°
C28C27C26H9180.0°179.9°
C27C28C29H4180.0°179.8°
C28C27C26C25176.7°180.0°
C28C27C26N310.1°0.2°
C27C28C29C300.0°0.3°
C27C28C29H10180.0°179.7°
C26C27C28C290.1°0.0°
C27C26C25N31177.0°179.8°
C27C26C25N24141.9°95.3°
C27C26N31C300.1°0.2°
C26C27C28H4179.9°179.8°
C27C26C25H721.4°144.8°
C27C26C25H897.6°24.8°
C28C29C30H10180.0°180.0°
C28C29C30N310.0°0.3°
C29C28C27H9179.9°180.0°
C28C29C30H11180.0°179.9°
C26C25N24H7120.5°120.0°
C26C25N24H8120.5°120.0°
C25C26N31C30177.0°180.0°
C26C25N24C22105.3°84.2°
C26C25N24C3274.6°95.9°
C26C25H7H8118.3°120.0°
C25C26C27H93.3°0.0°
N31C26C25N2435.2°84.9°
C26N31C30C290.0°0.1°
N31C26C25H7155.7°35.0°
N31C26C25H885.4°155.0°
N31C26C27H9179.9°179.8°
C26N31C30H11180.0°179.7°
C25N24C22C32179.8°180.0°
C25N24C22C21175.1°6.2°
C25N24C32C4391.6°172.0°
C25N24C32C3388.2°8.3°
N24C25H7H8118.3°120.0°
C29C30N31H11180.0°179.7°
C30C29C28H4180.0°180.0°
N31C30C29H10180.0°179.7°
N24C22C21C20166.8°174.6°
N24C22C21O4416.6°5.4°
C22N24C32C4388.6°7.9°
C22N24C32C3391.6°171.7°
C22N24C25H7134.2°35.8°
C22N24C25H815.3°155.8°
C22C21C20O44177.0°180.0°
C22C21C20C19177.0°180.0°
C21C22N24C325.1°173.8°
C22C21O44C18177.1°180.0°
C22C21C20H33.1°0.3°
C21C20C19H3180.0°179.7°
C21C20C19C180.0°0.0°
C20C21O44C180.0°0.0°
C21C20C19H6180.0°180.0°
C19C20C21O440.0°0.0°
C20C19C18H6180.0°180.0°
C20C19C18O440.0°0.0°
C20C19C18C17178.2°180.0°
N24C32C43C33179.8°179.7°
N24C32C43C42179.8°179.8°
N24C32C33C34179.8°180.0°
C32N24C25H746.0°144.2°
C32N24C25H8164.9°24.2°
N24C32C33H120.3°0.0°
N24C32C43H250.2°0.1°
C21O44C18C190.0°0.0°
C21O44C18C17178.6°180.0°
O44C21C20H3180.0°179.7°
C19C18O44C17178.5°180.0°
C19C18C17C166.4°180.0°
C19C18C17C45175.6°0.0°
C18C19C20H3180.0°179.7°
C32C43C42H25180.0°179.7°
C43C32C33C340.0°0.3°
C32C43C42C350.0°0.5°
C43C32C33H12180.0°179.7°
C32C43C42H24180.0°179.7°
C33C32C43C420.0°0.5°
C32C33C34H12180.0°180.0°
C32C33C34C350.1°0.0°
C32C33C34H13179.9°180.0°
C33C32C43H25180.0°179.8°
O44C18C17C16171.7°0.0°
O44C18C17C456.3°180.0°
O44C18C19H6180.0°180.0°
C43C42C35H24180.0°179.8°
C43C42C35C340.1°0.2°
C43C42C35N36179.0°179.7°
C18C17C16C45178.0°180.0°
C18C17C16C15177.8°180.0°
C18C17C45C46177.8°179.7°
C18C17C16H52.2°0.0°
C17C18C19H61.9°0.1°
C18C17C45H262.2°0.0°
C33C34C35C420.1°0.1°
C33C34C35H13180.0°179.9°
C33C34C35N36179.0°180.0°
C42C35C34N36179.1°179.9°
C42C35N36C41135.9°0.0°
C42C35N36C370.6°123.8°
C42C35C34H13179.8°180.0°
C35C42C43H25180.0°179.8°
C34C35N36C4145.0°180.0°
C34C35N36C37178.6°56.3°
C35C34C33H12179.9°180.0°
C34C35C42H24179.9°180.0°
C17C16C15H5180.0°180.0°
C16C17C45C460.2°0.3°
C17C16C15O14179.8°180.0°
C17C16C15C470.0°0.3°
C16C17C45H26179.8°180.0°
C45C17C16C150.2°0.0°
C17C45C46H26180.0°179.7°
C17C45C46C470.1°0.4°
C45C17C16H5179.8°180.0°
C17C45C46H27179.9°180.0°
C16C15O14C47179.7°179.7°
C16C15C47C460.1°0.3°
C16C15O14S11124.5°89.7°
C16C15C47CL48177.9°179.7°
C35N36C41C37138.8°123.9°
C35N36C41C40162.1°176.9°
C35N36C37C38161.5°176.8°
N36C35C34H131.0°0.1°
C35N36C37H1478.4°63.2°
C35N36C37H1541.3°56.9°
C35N36C41H2241.9°56.8°
C35N36C41H2377.8°63.3°
N36C35C42H241.0°0.1°
C45C46C47C150.0°0.1°
C45C46C47H27180.0°179.6°
C45C46C47CL48177.9°179.9°
O14C15C47C46179.7°179.9°
O14C15C47CL482.4°0.1°
C15O14S11O12159.7°0.0°
C15O14S11O1370.2°180.0°
O14C15C16H50.2°0.1°
C15O14S11O145.1°90.1°
C15C47C46CL48178.0°180.0°
C47C15O14S1155.7°89.9°
C47C15C16H5180.0°179.7°
C15C47C46H27180.0°179.7°
N36C41C40H22120.1°120.0°
N36C41C40H23120.1°119.9°
C41N36C37C3859.2°59.4°
N36C41C40N3956.6°58.3°
C41N36C37H1460.9°60.7°
C41N36C37H15179.4°179.3°
N36C41C40H2063.5°178.3°
N36C41C40H21176.7°61.6°
N36C41H22H23119.6°120.1°
C37N36C41C4059.2°59.3°
N36C37C38H14120.1°120.0°
N36C37C38H15120.2°119.9°
N36C37C38N3956.6°58.4°
N36C37H14H15119.6°120.0°
N36C37C38H16176.7°178.4°
N36C37C38H1763.5°61.5°
C37N36C41H22179.3°179.3°
C37N36C41H2361.0°60.6°
C47C46C45H26179.9°179.9°
O14S11O12O13121.3°77.3°
O14S11O12O1113.0°120.0°
O14S11O13O1113.9°120.0°
O14S11O13H2180.0°180.0°
O14S11O12H1180.0°60.0°
O14S11O1H19180.0°90.0°
C41C40N39H20120.1°120.0°
C41C40N39H21120.1°119.9°
C41C40N39C3855.1°59.3°
C41C40N39H18175.4°176.8°
C41C40H20H21119.6°120.0°
C40C41H22H23119.6°120.0°
C37C38N39C4055.1°59.3°
C37C38N39H16120.1°119.9°
C37C38N39H17120.1°120.0°
C38C37H14H15119.5°120.0°
C37C38H16H17119.6°120.1°
C37C38N39H18175.4°176.8°
CL48C47C46H272.1°0.3°
O12S11O13O1125.7°42.7°
O12S11O13H259.6°102.7°
O12S11O1H1967.6°180.0°
O13S11O12H158.7°137.3°
O13S11O1H1965.4°0.0°
C40N39C38H18120.3°123.8°
C40N39C38H16175.2°179.3°
C40N39C38H1765.0°60.6°
N39C40H20H21119.6°120.1°
N39C40C41H22176.7°178.3°
N39C40C41H2363.6°61.6°
N39C38C37H1463.6°61.6°
N39C38C37H15176.8°178.4°
N39C38H16H17119.7°120.1°
C38N39C40H2065.0°179.3°
C38N39C40H21175.3°60.6°
H2O13S11O166.1°60.1°
H3C20C19H60.0°0.3°
H4C28C27H90.1°0.2°
H4C28C29H100.0°0.1°
H10C29C30H110.0°0.0°
H12C33C34H130.1°0.1°
H14C37C38H1656.6°58.4°
H14C37C38H17176.3°178.5°
H15C37C38H1663.1°61.7°
H15C37C38H1756.7°58.4°
H16C38N39H1864.5°56.9°
H17C38N39H1855.4°63.2°
H18N39C40H2055.3°56.8°
H18N39C40H2164.4°63.2°
H20C40C41H2256.6°61.6°
H20C40C41H23176.3°58.4°
H21C40C41H2263.2°58.4°
H21C40C41H2356.6°178.5°
H24C42C43H250.0°0.0°
H26C45C46H270.1°0.3°
O1S11O12H166.9°180.0°

247947

PDB entries from 2026-01-21

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