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SummaryGeometryRelated PDB entries

A1A51

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C04C03sing1.51Å1.53Å
C04C05sing1.51Å1.53Å
C03N15sing1.35Å1.31ÅAromatic
C03C02doub1.35Å1.38ÅAromatic
C16N15sing1.47Å1.45Å
C01C02sing1.51Å1.53Å
N15N17sing1.28Å1.37ÅAromatic
C14C05doub1.38Å1.38ÅAromatic
C14N13sing1.32Å1.32ÅAromatic
C02C18sing1.42Å1.39ÅAromatic
N17C18doub1.32Å1.33ÅAromatic
C05C06sing1.39Å1.39ÅAromatic
C18C19sing1.48Å1.53Å
C21O20sing1.45Å1.40Å
C21C22sing1.53Å1.53Å
C19O20sing1.35Å1.40Å
C19O23doub1.22Å1.19Å
N13C08doub1.32Å1.32ÅAromatic
C06C07doub1.39Å1.39ÅAromatic
C08C07sing1.38Å1.39ÅAromatic
C08C09sing1.51Å1.53Å
F12C09sing1.40Å1.36Å
F11C09sing1.40Å1.36Å
C09F10sing1.40Å1.36Å
C16H161sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C04H042sing1.09Å1.10Å
C04H041sing1.09Å1.10Å
C06H061sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C14H141sing1.08Å1.08Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C22H223sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C03C04C05113.8°109.5°
C04C03N15126.3°126.4°
C04C03C02126.2°126.4°
C03C04H042108.4°109.5°
C03C04H041108.4°109.5°
C04C05C14118.8°120.5°
C04C05C06122.1°120.4°
C05C04H042108.4°109.5°
C05C04H041108.4°109.4°
N15C03C02107.4°107.2°
C03N15C16125.3°124.9°
C03N15N17110.3°110.3°
C03C02C01126.0°127.2°
C03C02C18107.3°105.5°
C16N15N17124.4°124.9°
N15C16H161109.5°109.4°
N15C16H163109.4°109.5°
N15C16H162109.5°109.5°
C01C02C18126.7°127.2°
C02C01H011109.5°109.5°
C02C01H013109.5°109.5°
C02C01H012109.5°109.5°
N15N17C18107.8°110.0°
C05C14N13121.4°120.8°
C14C05C06119.1°119.1°
C05C14H141119.3°119.6°
C14N13C08121.1°121.7°
N13C14H141119.3°119.7°
C02C18N17107.2°107.0°
C02C18C19128.1°126.5°
N17C18C19124.7°126.5°
C05C06C07118.0°118.4°
C05C06H061121.0°120.8°
C18C19O20120.6°120.0°
C18C19O23118.9°120.0°
O20C21C22108.4°109.5°
C21O20C19114.4°117.0°
O20C21H211109.7°109.5°
O20C21H212109.7°109.5°
C22C21H211109.7°109.5°
C22C21H212109.7°109.5°
C21C22H221109.5°109.5°
C21C22H222109.5°109.4°
C21C22H223109.5°109.5°
O20C19O23120.4°120.0°
N13C08C07121.2°120.8°
N13C08C09118.4°119.6°
C06C07C08119.2°119.2°
C07C06H061121.0°120.8°
C06C07H071120.4°120.4°
C07C08C09120.4°119.6°
C08C07H071120.4°120.4°
C08C09F12108.9°109.4°
C08C09F11109.5°109.5°
C08C09F10110.2°109.5°
F12C09F11109.5°109.5°
F12C09F10109.7°109.5°
F11C09F10109.0°109.5°
H161C16H163109.5°109.5°
H161C16H162109.5°109.5°
H163C16H162109.4°109.5°
H211C21H212109.5°109.4°
H011C01H013109.5°109.5°
H011C01H012109.5°109.5°
H013C01H012109.5°109.5°
H042C04H041109.5°109.4°
H221C22H222109.5°109.5°
H221C22H223109.4°109.5°
H222C22H223109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C03C04C05H042120.7°120.1°
C03C04C05H041120.6°120.0°
C04C03N15C02178.6°180.0°
C04C03N15C161.2°0.2°
C04C03C02C011.2°0.2°
C04C03N15N17179.0°180.0°
C03C04C05C14129.8°90.2°
C04C03C02C18178.8°179.8°
C03C04C05C0651.5°90.0°
C03C04H042H041118.0°120.0°
C05C04C03N1570.5°90.0°
C05C04C03C02111.2°90.0°
C04C05C14C06178.7°179.7°
C04C05C14N13179.4°179.7°
C04C05C06C07179.3°180.0°
C05C04H042H041118.0°120.0°
C04C05C06H0610.7°0.0°
C04C05C14H1410.6°0.0°
C03N15C16N17179.7°179.7°
N15C03C02C01179.7°179.8°
N15C03C02C180.2°0.2°
C03N15N17C180.6°0.2°
C03N15C16H161179.8°89.7°
C03N15C16H16360.2°30.2°
C03N15C16H16259.7°150.3°
N15C03C04H04250.2°149.9°
N15C03C04H041168.9°30.0°
C02C03N15C16179.7°179.8°
C03C02C01C18180.0°180.0°
C02C03N15N170.5°0.0°
C03C02C18N170.1°0.3°
C03C02C18C19179.6°180.0°
C03C02C01H01190.0°90.0°
C03C02C01H013150.0°30.0°
C03C02C01H01230.0°150.0°
C02C03C04H042128.1°30.1°
C02C03C04H0419.4°150.0°
C16N15N17C18179.7°180.0°
N15C16H161H163120.0°120.0°
N15C16H161H162120.0°120.0°
N15C16H163H162120.0°120.0°
C01C02C18N17179.9°179.7°
C01C02C18C190.5°0.0°
C02C01H011H013120.0°120.0°
C02C01H011H012120.0°120.0°
C02C01H013H012120.0°120.0°
N15N17C18C020.4°0.3°
N15N17C18C19179.9°180.0°
N17N15C16H1610.0°90.0°
N17N15C16H163120.0°150.0°
N17N15C16H162120.0°30.0°
C05C14N13H141180.0°179.7°
C05C14N13C080.3°0.6°
C14C05C06C070.6°0.3°
C14C05C04H0429.2°149.7°
C14C05C04H041109.5°29.7°
C14C05C06H061179.4°179.7°
N13C14C05C060.7°0.6°
C14N13C08C070.1°0.2°
C14N13C08C09179.9°179.6°
C02C18N17C19179.5°179.7°
C02C18C19O201.2°179.9°
C02C18C19O23179.6°0.1°
C18C02C01H01190.0°90.0°
C18C02C01H01330.0°150.0°
C18C02C01H012150.0°30.0°
N17C18C19O20179.4°0.4°
N17C18C19O230.2°179.6°
C05C06C07H061180.0°180.0°
C05C06C07C080.2°0.1°
C06C05C04H042172.2°30.0°
C06C05C04H04169.1°150.0°
C05C06C07H071179.8°180.0°
C06C05C14H141179.3°179.7°
C18C19O20C21144.8°180.0°
C18C19O20O23179.1°180.0°
O20C21C22H211119.8°120.0°
O20C21C22H212119.8°120.0°
C21O20C19O2334.3°0.0°
O20C21H211H212120.5°120.0°
O20C21C22H221180.0°60.0°
O20C21C22H22260.0°60.0°
O20C21C22H22360.0°180.0°
C22C21O20C19160.9°180.0°
C22C21H211H212120.5°120.0°
C21C22H221H222120.0°120.0°
C21C22H221H223120.0°120.0°
C21C22H222H223120.0°120.0°
C19O20C21H21179.2°60.0°
C19O20C21H21241.1°60.0°
N13C08C07C060.2°0.1°
N13C08C07C09179.7°179.9°
N13C08C09F1235.9°150.0°
N13C08C09F1183.8°30.1°
N13C08C09F10156.3°90.0°
N13C08C07H071179.8°180.0°
C08N13C14H141179.7°179.7°
C06C07C08H071180.0°179.9°
C06C07C08C09179.9°179.9°
C07C08C09F12144.3°30.1°
C07C08C09F1196.0°150.0°
C07C08C09F1024.0°89.9°
C08C07C06H061179.8°179.9°
C08C09F12F11119.7°119.9°
C08C09F12F10120.7°120.1°
C08C09F11F10120.7°120.1°
C09C08C07H0710.1°0.1°
F12C09F11F10120.0°120.0°
H161C16H163H162120.0°120.0°
H211C21C22H22160.1°60.0°
H211C21C22H222179.8°180.0°
H211C21C22H22359.8°60.0°
H212C21C22H22160.2°180.0°
H212C21C22H22259.8°60.0°
H212C21C22H223179.8°60.0°
H011C01H013H012120.0°120.0°
H061C06C07H0710.2°0.0°
H221C22H222H223120.0°120.0°

247947

PDB entries from 2026-01-21

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