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SummaryGeometryRelated PDB entries

RKI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C20S21sing1.75Å1.69ÅAromatic
C20C19doub1.32Å1.40ÅAromatic
S21C22sing1.76Å1.70ÅAromatic
C19C18sing1.45Å1.44ÅAromatic
O13C12doub1.22Å1.19Å
C22C18doub1.40Å1.39ÅAromatic
C22C14sing1.40Å1.38ÅAromatic
C18N17sing1.35Å1.33ÅAromatic
C12C14sing1.48Å1.51Å
C12N11sing1.35Å1.44Å
C14N15doub1.33Å1.33ÅAromatic
C10N11sing1.47Å1.44Å
C10C09sing1.51Å1.51Å
N17C16doub1.31Å1.32ÅAromatic
N15C16sing1.32Å1.32ÅAromatic
C09C08doub1.38Å1.37ÅAromatic
C09C23sing1.38Å1.39ÅAromatic
C08C07sing1.38Å1.38ÅAromatic
C23C05doub1.38Å1.39ÅAromatic
C07C06doub1.38Å1.38ÅAromatic
C05C06sing1.38Å1.38ÅAromatic
C05C04sing1.51Å1.53Å
C04C02sing1.51Å1.53Å
C02O03doub1.21Å1.26Å
C02O01sing1.34Å1.26Å
C16H161sing1.08Å1.08Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C20H201sing1.08Å1.08Å
C19H191sing1.08Å1.08Å
C04H042sing1.09Å1.10Å
C04H041sing1.09Å1.10Å
C06H061sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C23H231sing1.08Å1.08Å
N11H111sing0.97Å1.00Å
O01H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
S21C20C19106.1°111.5°
C20S21C2298.5°92.2°
S21C20H201126.9°124.3°
C20C19C18115.2°114.9°
C19C20H201126.9°124.2°
C20C19H191122.4°122.6°
S21C22C18107.8°109.7°
S21C22C14134.1°131.7°
C19C18C22112.3°111.8°
C19C18N17128.8°130.2°
C18C19H191122.4°122.6°
O13C12C14121.1°120.0°
O13C12N11121.4°120.0°
C18C22C14118.1°118.6°
C22C18N17118.9°118.0°
C22C14C12119.4°120.6°
C22C14N15120.3°118.7°
C18N17C16120.7°121.1°
C14C12N11117.5°120.0°
C12C14N15120.3°120.6°
C12N11C10119.7°120.0°
C12N11H111120.1°120.0°
C14N15C16119.7°120.9°
N11C10C09111.0°109.5°
N11C10H101109.1°109.5°
N11C10H102109.1°109.5°
C10N11H111120.2°120.0°
C10C09C08117.6°120.0°
C10C09C23121.4°120.0°
C09C10H101109.1°109.5°
C09C10H102109.1°109.4°
N17C16N15122.3°122.7°
N17C16H161118.8°118.6°
N15C16H161118.8°118.7°
C08C09C23121.0°120.0°
C09C08C07119.5°120.0°
C09C08H081120.3°120.0°
C09C23C05119.6°120.0°
C09C23H231120.2°120.1°
C08C07C06120.1°120.0°
C08C07H071120.0°120.0°
C07C08H081120.2°120.1°
C23C05C06119.1°120.0°
C23C05C04122.1°120.0°
C05C23H231120.2°119.9°
C07C06C05120.7°120.0°
C07C06H061119.6°120.0°
C06C07H071120.0°120.0°
C06C05C04118.9°120.0°
C05C06H061119.6°120.0°
C05C04C02110.6°109.5°
C05C04H042109.2°109.4°
C05C04H041109.1°109.5°
C04C02O03118.1°120.0°
C04C02O01122.3°120.0°
C02C04H042109.2°109.5°
C02C04H041109.2°109.5°
O03C02O01119.7°120.0°
C02O01H1109.5°117.0°
H101C10H102109.5°109.5°
H042C04H041109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
S21C20C19H201180.0°180.0°
S21C20C19C180.1°0.1°
C20S21C22C180.2°0.1°
C20S21C22C14179.8°179.8°
S21C20C19H191179.9°179.8°
C19C20S21C220.0°0.0°
C20C19C18H191180.0°179.9°
C20C19C18C220.2°0.2°
C20C19C18N17179.9°180.0°
S21C22C18C190.2°0.2°
S21C22C18C14179.7°179.9°
S21C22C18N17180.0°180.0°
S21C22C14C120.2°0.5°
S21C22C14N15179.9°179.5°
C22S21C20H201179.9°180.0°
C19C18C22N17179.8°179.8°
C19C18C22C14179.9°179.7°
C19C18N17C16180.0°180.0°
C18C19C20H201179.9°179.9°
O13C12C14C229.1°1.0°
O13C12C14N11179.8°180.0°
O13C12C14N15171.0°180.0°
O13C12N11C100.4°0.0°
O13C12N11H111179.6°180.0°
C18C22C14C12179.8°179.7°
C18C22C14N150.2°0.7°
C22C18N17C160.2°0.3°
C22C18C19H191179.8°179.7°
C14C22C18N170.3°0.1°
C22C14C12N15179.9°179.0°
C22C14C12N11171.1°179.0°
C22C14N15C160.2°0.9°
C18N17C16N150.2°0.0°
C18N17C16H161179.8°180.0°
N17C18C19H1910.1°0.0°
C14C12N11C10179.8°180.0°
C12C14N15C16179.9°179.9°
C14C12N11H1110.2°0.0°
N11C12C14N158.8°0.0°
C12N11C10H111180.0°180.0°
C12N11C10C09117.7°180.0°
C12N11C10H1012.5°60.0°
C12N11C10H102122.0°60.0°
C14N15C16N170.1°0.6°
C14N15C16H161179.9°179.4°
N11C10C09H101120.2°120.0°
N11C10C09H102120.2°120.0°
N11C10C09C0897.0°90.0°
N11C10C09C2383.4°89.7°
N11C10H101H102119.2°120.0°
C10C09C08C23179.6°179.7°
C10C09C08C07179.3°180.0°
C10C09C23C05179.3°179.7°
C09C10H101H102119.3°120.0°
C10C09C08H0810.7°0.1°
C10C09C23H2310.8°0.0°
C09C10N11H11162.3°0.0°
N17C16N15H161180.0°180.0°
C09C08C07H081180.0°179.9°
C08C09C23C050.4°0.6°
C09C08C07C060.2°0.0°
C08C09C10H101142.8°150.0°
C08C09C10H10223.2°30.0°
C09C08C07H071179.9°179.9°
C08C09C23H231179.6°179.7°
C23C09C08C070.3°0.3°
C09C23C05H231180.0°179.7°
C09C23C05C060.2°0.6°
C09C23C05C04179.7°179.7°
C23C09C10H10136.9°30.3°
C23C09C10H102156.4°150.3°
C23C09C08H081179.7°179.8°
C08C07C06H071180.0°179.9°
C08C07C06C050.0°0.0°
C08C07C06H061180.0°180.0°
C23C05C06C070.1°0.3°
C23C05C06C04179.9°179.7°
C23C05C04C02119.3°90.3°
C23C05C04H0420.9°149.7°
C23C05C04H041120.5°29.7°
C23C05C06H061179.9°179.7°
C07C06C05H061180.0°179.9°
C07C06C05C04179.9°180.0°
C06C07C08H081179.8°180.0°
C06C05C04C0260.7°90.0°
C06C05C04H042179.1°30.0°
C06C05C04H04159.5°150.0°
C05C06C07H071180.0°179.9°
C06C05C23H231179.8°179.7°
C05C04C02H042120.2°120.0°
C05C04C02H041120.2°120.0°
C05C04C02O0321.5°0.0°
C05C04C02O01157.7°180.0°
C05C04H042H041119.4°119.9°
C04C05C06H0610.1°0.0°
C04C05C23H2310.3°0.0°
C04C02O03O01179.2°180.0°
C02C04H042H041119.5°120.0°
C04C02O01H1179.1°180.0°
O03C02C04H04298.7°120.0°
O03C02C04H041141.6°120.0°
O03C02O01H10.0°0.0°
O01C02C04H04282.1°60.0°
O01C02C04H04137.5°60.0°
H101C10N11H111177.5°120.0°
H102C10N11H11158.0°120.0°
H201C20C19H1910.1°0.2°
H061C06C07H0710.0°0.1°
H071C07C08H0810.1°0.0°

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PDB entries from 2024-07-10

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