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SummaryGeometryRelated PDB entries

A1JB1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C41O40sing1.43Å1.39Å
O40C39sing1.36Å1.41Å
C38C39doub1.39Å1.40ÅAromatic
C38C37sing1.38Å1.40ÅAromatic
C39C42sing1.39Å1.37ÅAromatic
C37C36doub1.38Å1.40ÅAromatic
N28N29sing1.29Å1.36ÅAromatic
N28N27doub1.29Å1.32ÅAromatic
N29C25doub1.31Å1.37ÅAromatic
N27N26sing1.29Å1.36ÅAromatic
C42C43doub1.38Å1.37ÅAromatic
C25N26sing1.35Å1.36ÅAromatic
C25C24sing1.51Å1.54Å
C24N12sing1.47Å1.46Å
C36C43sing1.38Å1.40ÅAromatic
C36S02sing1.76Å1.81Å
O01S02doub1.42Å1.43Å
N12C11sing1.40Å1.44Å
N12S13sing1.66Å1.72Å
C10C11doub1.38Å1.38ÅAromatic
C10C09sing1.39Å1.38ÅAromatic
S02O44doub1.42Å1.45Å
S02N03sing1.66Å1.71Å
C11C30sing1.41Å1.39ÅAromatic
C09C08doub1.38Å1.39ÅAromatic
C30C31doub1.40Å1.41ÅAromatic
C30C35sing1.42Å1.39ÅAromatic
C08C35sing1.41Å1.43ÅAromatic
C08N03sing1.40Å1.48Å
C31C32sing1.36Å1.40ÅAromatic
C35C34doub1.40Å1.41ÅAromatic
N03C04sing1.46Å1.46Å
O14S13doub1.42Å1.46Å
C16C17doub1.38Å1.40ÅAromatic
C16C15sing1.38Å1.39ÅAromatic
C17C18sing1.39Å1.39ÅAromatic
S13C15sing1.76Å1.81Å
S13O23doub1.42Å1.48Å
C32C33doub1.39Å1.41ÅAromatic
C20O19sing1.43Å1.41Å
C34C33sing1.36Å1.38ÅAromatic
C15C22doub1.38Å1.39ÅAromatic
C04C05sing1.51Å1.51Å
C18O19sing1.36Å1.40Å
C18C21doub1.39Å1.39ÅAromatic
C22C21sing1.38Å1.39ÅAromatic
O07C05doub1.21Å1.28Å
C05O06sing1.34Å1.24Å
C10H1sing1.08Å1.08Å
C17H2sing1.08Å1.08Å
C20H3sing1.09Å1.10Å
C20H4sing1.09Å1.10Å
C20H5sing1.09Å1.10Å
C21H6sing1.08Å1.08Å
C22H7sing1.08Å1.08Å
C24H8sing1.09Å1.10Å
C24H9sing1.09Å1.10Å
C04H10sing1.09Å1.10Å
C04H11sing1.09Å1.10Å
C09H12sing1.08Å1.08Å
C16H13sing1.08Å1.08Å
C31H14sing1.08Å1.08Å
C32H15sing1.08Å1.08Å
C33H16sing1.08Å1.08Å
C34H17sing1.08Å1.08Å
C37H18sing1.08Å1.08Å
C38H19sing1.08Å1.08Å
C41H20sing1.09Å1.10Å
C41H21sing1.09Å1.10Å
C41H22sing1.09Å1.10Å
C42H23sing1.08Å1.08Å
C43H24sing1.08Å1.08Å
N26H25sing0.97Å1.00Å
O06H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C41O40C39111.9°117.0°
O40C41H20109.5°109.5°
O40C41H21109.4°109.5°
O40C41H22109.5°109.5°
O40C39C38122.5°120.0°
O40C39C42116.5°120.1°
C39C38C37119.1°119.9°
C38C39C42121.0°119.9°
C39C38H19120.4°120.0°
C38C37C36119.1°120.1°
C38C37H18120.4°119.9°
C37C38H19120.5°120.1°
C39C42C43120.1°119.9°
C39C42H23120.0°120.0°
C37C36C43120.2°120.1°
C37C36S02120.9°120.0°
C36C37H18120.4°120.0°
N29N28N27108.5°109.4°
N28N29C25108.6°108.0°
N28N27N26108.6°108.8°
N29C25N26105.5°106.7°
N29C25C24127.4°126.6°
N27N26C25108.7°107.1°
N27N26H25125.6°126.4°
C42C43C36120.5°120.1°
C43C42H23119.9°120.1°
C42C43H24119.7°120.0°
N26C25C24127.0°126.7°
C25N26H25125.7°126.5°
C25C24N12105.3°109.5°
C25C24H8110.5°109.5°
C25C24H9110.5°109.4°
C24N12C11120.2°120.0°
C24N12S13123.5°120.0°
N12C24H8110.5°109.5°
N12C24H9110.5°109.5°
C43C36S02118.8°120.0°
C36C43H24119.7°119.9°
C36S02O01112.2°106.4°
C36S02O44114.9°106.4°
C36S02N0394.9°107.2°
O01S02O44109.3°123.1°
O01S02N03113.9°106.4°
C11N12S13116.0°120.0°
N12C11C10116.5°120.2°
N12C11C30121.2°120.1°
N12S13O14110.9°106.4°
N12S13C15107.1°107.2°
N12S13O23109.6°106.4°
C11C10C09119.7°120.8°
C10C11C30122.2°119.7°
C11C10H1120.1°119.6°
C10C09C08119.7°120.8°
C09C10H1120.2°119.6°
C10C09H12120.1°119.6°
O44S02N03111.2°106.4°
S02N03C08122.4°120.0°
S02N03C04113.4°120.0°
C11C30C31119.0°121.2°
C11C30C35118.7°119.4°
C09C08C35120.4°119.7°
C09C08N03113.3°120.2°
C08C09H12120.2°119.6°
C31C30C35122.3°119.4°
C30C31C32119.5°119.7°
C30C31H14120.3°120.2°
C30C35C08119.3°119.5°
C30C35C34117.9°119.3°
C35C08N03126.3°120.1°
C08C35C34122.9°121.2°
C08N03C04123.6°120.0°
C31C32C33118.2°121.0°
C32C31H14120.3°120.1°
C31C32H15120.9°119.5°
C35C34C33120.3°119.7°
C35C34H17119.9°120.1°
N03C04C05116.0°109.5°
N03C04H10107.8°109.4°
N03C04H11107.8°109.5°
O14S13C15110.8°106.4°
O14S13O23109.9°123.2°
C17C16C15119.3°120.1°
C16C17C18118.4°119.9°
C16C17H2120.8°120.0°
C17C16H13120.3°120.0°
C16C15S13120.1°120.0°
C16C15C22122.8°120.1°
C15C16H13120.4°119.9°
C17C18O19120.0°120.1°
C17C18C21121.6°119.9°
C18C17H2120.8°120.1°
C15S13O23108.6°106.4°
S13C15C22117.0°119.9°
C32C33C34121.9°121.0°
C33C32H15120.9°119.5°
C32C33H16119.1°119.6°
C20O19C18115.5°117.1°
O19C20H3109.5°109.5°
O19C20H4109.5°109.5°
O19C20H5109.5°109.5°
C34C33H16119.1°119.5°
C33C34H17119.8°120.2°
C15C22C21117.8°120.0°
C15C22H7121.1°120.0°
C04C05O07121.9°120.0°
C04C05O06114.7°120.1°
C05C04H10107.8°109.5°
C05C04H11107.8°109.5°
O19C18C21118.4°120.1°
C18C21C22120.1°120.0°
C18C21H6120.0°120.0°
C22C21H6120.0°120.0°
C21C22H7121.1°120.0°
O07C05O06123.4°119.9°
C05O06H26109.5°117.1°
H3C20H4109.5°109.5°
H3C20H5109.4°109.5°
H4C20H5109.5°109.4°
H8C24H9109.5°109.5°
H10C04H11109.5°109.4°
H20C41H21109.5°109.4°
H20C41H22109.4°109.4°
H21C41H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C41O40C39C388.2°180.0°
C41O40C39C42172.0°0.0°
O40C41H20H21120.0°120.1°
O40C41H20H22120.0°120.0°
O40C41H21H22120.0°120.0°
O40C39C38C42179.8°180.0°
O40C39C38C37179.7°180.0°
O40C39C42C43178.7°180.0°
O40C39C38H190.3°0.0°
C39O40C41H20180.0°60.1°
C39O40C41H2160.0°59.9°
C39O40C41H2260.0°180.0°
O40C39C42H231.3°0.1°
C39C38C37H19180.0°180.0°
C39C38C37C361.5°0.0°
C38C39C42C431.1°0.0°
C39C38C37H18178.5°180.0°
C38C39C42H23178.9°179.9°
C37C38C39C420.0°0.0°
C38C37C36H18180.0°180.0°
C38C37C36C432.1°0.0°
C38C37C36S02178.6°179.7°
C39C42C43H23180.0°179.9°
C39C42C43C360.5°0.0°
C42C39C38H19180.0°180.0°
C39C42C43H24179.5°179.7°
C37C36C43C421.1°0.0°
C37C36C43S02176.6°179.7°
C37C36S02O0127.1°23.8°
C37C36S02O44152.7°156.7°
C37C36S02N0391.1°89.8°
C36C37C38H19178.5°180.0°
C37C36C43H24178.9°179.8°
N29N28N27N260.8°0.3°
N28N29C25N260.2°0.4°
N28N29C25C24179.6°179.9°
N27N28N29C250.6°0.4°
N28N27N26C250.7°0.0°
N28N27N26H25179.3°179.9°
N29C25N26N270.3°0.3°
N29C25N26C24179.4°179.7°
N29C25C24N12116.9°85.3°
N29C25C24H8123.7°154.7°
N29C25C24H92.4°34.7°
N29C25N26H25179.7°179.9°
N27N26C25H25180.0°179.9°
N27N26C25C24179.1°180.0°
C42C43C36H24180.0°179.7°
C42C43C36S02177.7°179.7°
N26C25C24N1263.8°95.1°
N26C25C24H855.6°25.0°
N26C25C24H9176.9°144.9°
C25C24N12H8119.3°120.0°
C25C24N12H9119.4°120.0°
C25C24N12C11111.8°85.0°
C25C24N12S1361.3°95.0°
C25C24H8H9121.9°120.0°
C24C25N26H250.9°0.2°
C24N12C11S13173.5°180.0°
C24N12C11C1075.3°85.0°
C24N12C11C30106.2°95.0°
C24N12S13O1434.7°23.5°
C24N12S13C1586.2°90.0°
C24N12S13O23156.2°156.4°
N12C24H8H9121.9°120.0°
C43C36S02O01156.3°156.5°
C43C36S02O4430.7°23.5°
C43C36S02N0385.4°90.0°
C43C36C37H18177.9°180.0°
C36C43C42H23179.5°180.0°
C36S02O01O44128.6°122.9°
C36S02O01N03106.3°114.1°
C36S02O44N03106.3°114.1°
C36S02N03C0890.9°90.0°
C36S02N03C0480.4°90.0°
S02C36C37H181.4°0.3°
S02C36C43H242.3°0.0°
O01S02O44N03126.6°123.0°
O01S02N03C0826.0°23.5°
O01S02N03C04162.7°156.4°
N12C11C10C30178.6°180.0°
N12C11C10C09179.2°180.0°
N12C11C30C313.1°0.0°
N12C11C30C35179.3°180.0°
C11N12S13O14152.0°156.5°
C11N12S13C1587.1°90.0°
C11N12S13O2330.5°23.6°
N12C11C10H10.9°0.3°
C11N12C24H87.6°155.0°
C11N12C24H9128.9°35.0°
S13N12C11C1098.3°95.0°
S13N12C11C3080.3°85.0°
N12S13O14C15118.7°114.1°
N12S13O14O23121.3°122.9°
N12S13C15C16101.6°90.3°
N12S13C15O23118.2°113.5°
N12S13C15C2277.3°90.0°
S13N12C24H8179.4°25.0°
S13N12C24H958.1°145.0°
C11C10C09H1180.0°179.7°
C11C10C09C080.7°0.0°
C10C11C30C31178.4°180.0°
C10C11C30C350.8°0.0°
C11C10C09H12179.3°180.0°
C09C10C11C300.6°0.0°
C10C09C08H12180.0°179.9°
C10C09C08C351.0°0.1°
C10C09C08N03179.2°180.0°
O44S02N03C08150.0°156.4°
O44S02N03C0438.7°23.5°
S02N03C08C09112.7°93.3°
S02N03C08C3565.3°86.6°
S02N03C08C04170.4°179.9°
S02N03C04C05170.0°94.0°
S02N03C04H1069.1°145.9°
S02N03C04H1149.0°26.0°
C11C30C31C35177.5°180.0°
C11C30C35C081.1°0.1°
C11C30C31C32179.3°179.9°
C11C30C35C34178.4°180.0°
C30C11C10H1179.4°179.7°
C11C30C31H140.7°0.1°
C09C08C35C301.3°0.1°
C09C08C35N03177.9°179.9°
C09C08C35C34178.3°179.9°
C09C08N03C0457.7°86.6°
C08C09C10H1179.3°179.8°
C31C30C35C08178.6°180.0°
C30C31C32H14180.0°179.9°
C31C30C35C341.0°0.0°
C30C31C32C331.8°0.0°
C30C31C32H15178.2°180.0°
C30C35C08C34179.5°180.0°
C30C35C08N03179.2°180.0°
C35C30C31C321.8°0.0°
C30C35C34C330.1°0.0°
C35C30C31H14178.2°179.9°
C30C35C34H17179.9°179.9°
C35C08N03C04124.3°93.5°
C08C35C34C33179.5°180.0°
C35C08C09H12179.0°180.0°
C08C35C34H170.6°0.0°
N03C08C35C340.3°0.0°
C08N03C04C0518.9°85.9°
C08N03C04H10102.1°34.2°
C08N03C04H11139.8°154.1°
N03C08C09H120.8°0.0°
C31C32C33H15180.0°180.0°
C31C32C33C341.0°0.1°
C31C32C33H16179.1°180.0°
C35C34C33C320.1°0.0°
C35C34C33H17180.0°179.9°
C35C34C33H16179.9°180.0°
N03C04C05H10120.9°120.0°
N03C04C05H11121.0°120.0°
N03C04C05O07106.5°5.7°
N03C04C05O0674.3°174.3°
N03C04H10H11117.1°119.9°
O14S13C15C1619.4°156.2°
O14S13C15O23120.7°132.9°
O14S13C15C22161.7°23.5°
C17C16C15H13180.0°179.9°
C16C17C18H2180.0°180.0°
C17C16C15S13178.8°179.7°
C17C16C15C220.0°0.1°
C16C17C18O19179.8°180.0°
C16C17C18C210.7°0.0°
C15C16C17C180.2°0.0°
C16C15S13C22178.9°179.8°
C16C15S13O23140.1°23.3°
C16C15C22C210.3°0.1°
C15C16C17H2179.8°180.0°
C16C15C22H7179.7°180.0°
C17C18O19C2010.9°180.0°
C17C18O19C21179.1°180.0°
C17C18C21C221.0°0.0°
C17C18C21H6178.9°180.0°
C18C17C16H13179.8°180.0°
S13C15C22C21178.5°179.7°
S13C15C22H71.5°0.3°
S13C15C16H131.2°0.2°
O23S13C15C2241.0°156.5°
C32C33C34H16180.0°180.0°
C33C32C31H14178.2°179.9°
C32C33C34H17179.9°180.0°
C20O19C18C21168.2°0.0°
O19C20H3H4120.0°120.0°
O19C20H3H5120.0°120.1°
O19C20H4H5120.0°120.0°
C34C33C32H15179.0°180.0°
C15C22C21C180.8°0.0°
C15C22C21H7180.0°179.9°
C15C22C21H6179.1°180.0°
C22C15C16H13180.0°180.0°
C04C05O07O06179.1°180.0°
C05C04H10H11117.0°120.0°
C04C05O06H26179.2°179.9°
O19C18C21C22179.9°180.0°
O19C18C17H20.3°0.0°
C18O19C20H3180.0°60.0°
C18O19C20H460.0°60.0°
C18O19C20H560.0°179.9°
O19C18C21H60.2°0.0°
C18C21C22H6180.0°179.9°
C21C18C17H2179.3°180.0°
C18C21C22H7179.2°180.0°
O07C05C04H1014.5°125.7°
O07C05C04H11132.6°114.4°
O07C05O06H260.0°0.0°
O06C05C04H10164.8°54.3°
O06C05C04H1146.6°65.6°
H1C10C09H120.7°0.3°
H2C17C16H130.2°0.0°
H3C20H4H5119.9°120.0°
H6C21C22H70.8°0.1°
H14C31C32H151.8°0.1°
H15C32C33H160.9°0.0°
H16C33C34H170.1°0.1°
H18C37C38H191.5°0.0°
H20C41H21H22120.0°119.9°
H23C42C43H240.6°0.3°

250835

PDB entries from 2026-03-18

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