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SummaryGeometryRelated PDB entries

A1JFP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C02C01sing1.53Å1.54Å
C03C02sing1.51Å1.53Å
C04C03doub1.36Å1.38ÅAromatic
C06C05doub1.40Å1.39ÅAromatic
C07C06sing1.38Å1.38ÅAromatic
C08C07doub1.38Å1.39ÅAromatic
C09C08sing1.38Å1.37ÅAromatic
C10C09doub1.38Å1.39ÅAromatic
C05C04sing1.48Å1.51Å
N11C04sing1.36Å1.33ÅAromatic
C12N11sing1.38Å1.33ÅAromatic
O14C13sing1.35Å1.29Å
O15C13doub1.22Å1.26Å
C13C12sing1.42Å1.50Å
C16C12doub1.39Å1.39ÅAromatic
C17C16sing1.48Å1.49Å
C18C17doub1.39Å1.35ÅAromatic
C19C18sing1.38Å1.39ÅAromatic
CL20C19sing1.74Å1.75Å
C21C19doub1.38Å1.39ÅAromatic
C22C21sing1.38Å1.37ÅAromatic
CL23C22sing1.74Å1.78Å
C24C22doub1.38Å1.40ÅAromatic
C03C16sing1.40Å1.40ÅAromatic
C05C10sing1.40Å1.38ÅAromatic
C17C24sing1.39Å1.41ÅAromatic
C10H101sing1.08Å1.08Å
C21H211sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C01H013sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C02H022sing1.09Å1.10Å
C02H021sing1.09Å1.10Å
C06H061sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C09H091sing1.08Å1.08Å
C18H181sing1.08Å1.08Å
N11H111sing0.97Å1.00Å
O14H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01C02C03110.9°109.5°
C02C01H013109.5°109.5°
C02C01H011109.5°109.4°
C02C01H012109.5°109.4°
C01C02H022109.1°109.5°
C01C02H021109.1°109.5°
C02C03C04126.8°126.1°
C02C03C16127.7°126.1°
C03C02H022109.1°109.4°
C03C02H021109.1°109.4°
C03C04C05127.9°125.6°
C03C04N11108.8°108.9°
C04C03C16105.5°107.8°
C05C06C07118.0°119.9°
C06C05C04122.7°120.2°
C06C05C10120.2°119.7°
C05C06H061121.0°120.0°
C06C07C08122.0°120.1°
C07C06H061121.0°120.1°
C06C07H071119.0°119.9°
C07C08C09119.7°120.3°
C08C07H071119.0°119.9°
C07C08H081120.2°119.9°
C08C09C10118.9°120.2°
C09C08H081120.1°119.8°
C08C09H091120.6°119.9°
C09C10C05121.2°119.8°
C09C10H101119.4°120.0°
C10C09H091120.6°119.9°
C05C04N11123.2°125.5°
C04C05C10117.0°120.1°
C04N11C12110.7°108.8°
C04N11H111124.6°125.7°
N11C12C13123.0°126.2°
N11C12C16107.4°107.5°
C12N11H111124.7°125.6°
O14C13O15121.9°119.9°
O14C13C12118.2°120.0°
C13O14H1109.5°114.0°
O15C13C12119.0°120.0°
C13C12C16129.3°126.3°
C12C16C17128.7°126.4°
C12C16C03107.5°107.0°
C16C17C18126.2°120.1°
C17C16C03123.1°126.5°
C16C17C24113.2°120.1°
C17C18C19118.9°119.9°
C18C17C24120.3°119.8°
C17C18H181120.5°120.0°
C18C19CL20119.2°120.0°
C18C19C21121.8°120.1°
C19C18H181120.5°120.1°
CL20C19C21118.9°119.9°
C19C21C22119.5°120.3°
C19C21H211120.3°119.9°
C21C22CL23117.9°120.0°
C21C22C24119.4°120.1°
C22C21H211120.3°119.8°
CL23C22C24122.7°119.9°
C22C24C17120.0°119.9°
C22C24H241120.0°120.1°
C05C10H101119.4°120.1°
C17C24H241120.0°120.1°
H013C01H011109.4°109.5°
H013C01H012109.5°109.5°
H011C01H012109.5°109.5°
H022C02H021109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01C02C03H022120.2°120.0°
C01C02C03H021120.2°120.0°
C01C02C03C04103.7°89.7°
C01C02C03C1677.1°90.0°
C02C01H013H011120.0°120.0°
C02C01H013H012120.0°120.0°
C02C01H011H012120.0°119.9°
C01C02H022H021119.3°120.1°
C02C03C04C16179.3°179.8°
C02C03C04C051.1°0.0°
C02C03C04N11177.9°180.0°
C02C03C16C12177.3°180.0°
C02C03C16C176.3°0.0°
C03C02C01H013180.0°60.0°
C03C02C01H01160.0°60.0°
C03C02C01H01260.0°180.0°
C03C02H022H021119.3°120.0°
C03C04C05C0642.8°45.0°
C03C04C05N11176.3°179.9°
C03C04N11C120.3°0.1°
C04C03C16C121.9°0.2°
C04C03C16C17173.0°179.7°
C03C04C05C10133.2°135.0°
C04C03C02H02216.5°150.3°
C04C03C02H021136.1°30.3°
C03C04N11H111179.7°179.9°
C05C06C07H061180.0°180.0°
C05C06C07C080.3°0.0°
C06C05C10C092.4°0.0°
C06C05C04C10176.0°180.0°
C06C05C04N11140.9°135.1°
C06C05C10H101177.7°179.7°
C05C06C07H071179.7°180.0°
C06C07C08H071180.0°180.0°
C06C07C08C091.4°0.0°
C07C06C05C04178.0°180.0°
C07C06C05C102.1°0.0°
C06C07C08H081178.6°180.0°
C07C08C09H081180.0°179.9°
C07C08C09C101.1°0.0°
C08C07C06H061179.8°180.0°
C07C08C09H091178.9°179.8°
C08C09C10H091180.0°179.7°
C08C09C10C050.7°0.0°
C08C09C10H101179.3°179.7°
C09C08C07H071178.6°179.9°
C09C10C05C04178.5°180.0°
C09C10C05H101180.0°179.7°
C10C09C08H081178.9°179.9°
C05C04N11C12177.2°179.8°
C05C04C03C16178.1°179.8°
C04C05C10H1011.5°0.3°
C04C05C06H0612.0°0.1°
C05C04N11H1112.7°0.2°
C04N11C12H111180.0°180.0°
C04N11C12C13176.1°180.0°
C04N11C12C160.9°0.0°
N11C04C03C161.4°0.2°
N11C04C05C1043.1°45.0°
N11C12C13O14141.3°0.0°
N11C12C13O1528.2°180.0°
N11C12C13C16174.0°180.0°
N11C12C16C17172.2°179.8°
N11C12C16C031.8°0.1°
O14C13O15C12169.1°180.0°
O14C13C12C1632.7°180.0°
O15C13C12C16157.8°0.0°
O15C13O14H10.0°0.1°
C13C12C16C1713.1°0.2°
C13C12C16C03176.5°179.9°
C13C12N11H1114.0°0.0°
C12C13O14H1169.2°179.9°
C12C16C17C03169.1°179.9°
C12C16C17C18114.3°115.2°
C12C16C17C2471.5°65.1°
C16C12N11H111179.1°180.0°
C16C17C18C24173.8°179.7°
C16C17C18C19177.1°180.0°
C16C17C24C22176.9°180.0°
C16C17C24H2413.1°0.0°
C16C17C18H1812.8°0.0°
C17C18C19H181180.0°180.0°
C17C18C19CL20179.1°179.7°
C17C18C19C212.1°0.1°
C18C17C24C222.4°0.3°
C18C17C16C0376.6°64.7°
C18C17C24H241177.6°179.7°
C18C19CL20C21178.9°179.6°
C18C19C21C220.3°0.3°
C19C18C17C243.3°0.2°
C18C19C21H211179.8°180.0°
CL20C19C21C22178.6°180.0°
CL20C19C21H2111.4°0.4°
CL20C19C18H1811.0°0.3°
C19C21C22H211180.0°179.6°
C19C21C22CL23176.8°179.9°
C19C21C22C241.3°0.3°
C21C19C18H181177.9°179.9°
C21C22CL23C24178.1°179.8°
C21C22C24C170.0°0.0°
C21C22C24H241180.0°180.0°
CL23C22C24C17178.0°179.8°
CL23C22C21H2113.1°0.3°
CL23C22C24H2412.0°0.3°
C22C24C17H241180.0°180.0°
C24C22C21H211178.7°179.9°
C03C16C17C2497.6°115.0°
C16C03C02H022162.6°30.0°
C16C03C02H02143.1°150.0°
C10C05C06H061177.9°180.0°
C05C10C09H091179.3°179.7°
C24C17C18H181176.6°179.7°
H101C10C09H0910.7°0.0°
H013C01H011H012120.0°120.1°
H013C01C02H02259.7°59.9°
H013C01C02H02159.8°180.0°
H011C01C02H02260.2°180.0°
H011C01C02H021179.7°59.9°
H012C01C02H022179.7°60.1°
H012C01C02H02160.2°60.0°
H061C06C07H0710.2°0.0°
H071C07C08H0811.4°0.0°
H081C08C09H0911.1°0.3°

254917

PDB entries from 2026-06-10

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