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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C2sing1.36Å1.36Å
CL9C3sing1.74Å1.74Å
CL8C7sing1.74Å1.76Å
C2C3doub1.39Å1.37ÅAromatic
C2C7sing1.39Å1.37ÅAromatic
C3C4sing1.38Å1.37ÅAromatic
C7C6doub1.38Å1.39ÅAromatic
C4C5doub1.40Å1.37ÅAromatic
C6C5sing1.40Å1.38ÅAromatic
C5C10sing1.48Å1.45Å
C10N14doub1.31Å1.34ÅAromatic
C10O11sing1.35Å1.34ÅAromatic
N14N13sing1.29Å1.41ÅAromatic
O11C12sing1.35Å1.37ÅAromatic
C12N13doub1.31Å1.34ÅAromatic
C12C15sing1.48Å1.47Å
C16C15doub1.40Å1.38ÅAromatic
C16C17sing1.38Å1.39ÅAromatic
C15C20sing1.40Å1.38ÅAromatic
C17C18doub1.38Å1.40ÅAromatic
C20C19doub1.38Å1.38ÅAromatic
C18C19sing1.38Å1.39ÅAromatic
C19S21sing1.76Å1.60Å
S21O23doub1.42Å1.45Å
S21O22doub1.42Å1.44Å
O1H1sing0.97Å0.95Å
C4H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
C16H4sing1.08Å1.08Å
C17H5sing1.08Å1.08Å
C18H6sing1.08Å1.08Å
C20H7sing1.08Å1.08Å
S21F1sing1.61Å1.67Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C2C3121.8°120.0°
O1C2C7122.0°119.9°
C2O1H1109.5°114.0°
CL9C3C2119.6°119.9°
CL9C3C4116.1°119.9°
CL8C7C2119.2°120.0°
CL8C7C6118.8°120.0°
C3C2C7116.2°120.2°
C2C3C4124.3°120.1°
C2C7C6122.0°120.0°
C3C4C5117.7°119.9°
C3C4H2121.2°120.1°
C7C6C5118.8°119.9°
C7C6H3120.6°120.0°
C4C5C6120.9°119.9°
C4C5C10118.2°120.0°
C5C4H2121.1°120.1°
C6C5C10120.9°120.1°
C5C6H3120.6°120.1°
C5C10N14127.1°126.3°
C5C10O11122.5°126.3°
N14C10O11110.4°107.4°
C10N14N13106.9°109.4°
C10O11C12106.6°106.3°
N14N13C12106.5°109.4°
O11C12N13109.7°107.5°
O11C12C15124.0°126.3°
N13C12C15126.4°126.3°
C12C15C16117.9°120.1°
C12C15C20118.2°120.1°
C15C16C17116.5°119.8°
C16C15C20123.9°119.7°
C15C16H4121.8°120.1°
C16C17C18120.8°120.1°
C17C16H4121.8°120.0°
C16C17H5119.6°120.0°
C15C20C19119.3°119.8°
C15C20H7120.3°120.1°
C17C18C19120.8°120.3°
C18C17H5119.6°119.9°
C17C18H6119.6°119.9°
C20C19C18118.6°120.2°
C20C19S21120.0°119.9°
C19C20H7120.4°120.1°
C18C19S21121.3°119.9°
C19C18H6119.6°119.9°
C19S21O23103.1°106.4°
C19S21O22108.9°106.4°
C19S21F171.3°107.2°
O23S21O22109.7°123.1°
O23S21F159.3°106.4°
O22S21F1168.0°106.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C2C3CL90.4°0.0°
O1C2C7CL80.3°0.0°
O1C2C3C7179.6°179.7°
O1C2C3C4179.8°180.0°
O1C2C7C6179.8°179.7°
CL9C3C2C4179.8°180.0°
CL9C3C2C7180.0°179.7°
CL9C3C4C5179.9°180.0°
CL9C3C4H20.1°0.1°
CL8C7C2C3179.9°179.7°
CL8C7C2C6179.9°179.7°
CL8C7C6C5179.8°179.8°
CL8C7C6H30.2°0.0°
C3C2C7C60.2°0.6°
C2C3C4C50.3°0.0°
C3C2O1H1180.0°90.0°
C2C3C4H2179.7°180.0°
C7C2C3C40.2°0.3°
C2C7C6C50.3°0.5°
C7C2O1H10.5°90.3°
C2C7C6H3179.7°179.7°
C3C4C5H2180.0°179.9°
C3C4C5C60.4°0.1°
C3C4C5C10179.6°180.0°
C7C6C5C40.4°0.2°
C7C6C5H3180.0°179.8°
C7C6C5C10179.6°179.7°
C4C5C6C10179.2°179.9°
C4C5C10N1420.9°0.1°
C4C5C10O11157.8°179.7°
C4C5C6H3179.6°180.0°
C6C5C10N14159.9°180.0°
C6C5C10O1121.4°0.3°
C6C5C4H2179.6°180.0°
C5C10N14O11178.8°179.7°
C5C10N14N13179.2°180.0°
C5C10O11C12179.6°179.9°
C10C5C4H20.4°0.1°
C10C5C6H30.4°0.1°
N14C10O11C120.8°0.2°
C10N14N13C120.1°0.2°
O11C10N14N130.4°0.2°
C10O11C12N130.8°0.1°
C10O11C12C15179.5°179.9°
N14N13C12O110.6°0.0°
N14N13C12C15179.8°179.9°
O11C12N13C15179.6°179.9°
O11C12C15C1623.4°0.3°
O11C12C15C20157.1°180.0°
N13C12C15C16156.2°179.6°
N13C12C15C2023.4°0.1°
C12C15C16C20179.5°179.7°
C12C15C16C17179.7°180.0°
C12C15C20C19178.7°179.7°
C12C15C16H40.3°0.1°
C12C15C20H71.3°0.1°
C15C16C17H4180.0°179.9°
C15C16C17C180.5°0.0°
C16C15C20C191.8°0.6°
C15C16C17H5179.5°180.0°
C16C15C20H7178.2°179.7°
C17C16C15C200.2°0.3°
C16C17C18H5180.0°180.0°
C16C17C18C190.6°0.0°
C16C17C18H6179.4°180.0°
C15C20C19H7180.0°179.7°
C15C20C19C182.7°0.6°
C15C20C19S21179.7°179.6°
C20C15C16H4179.8°179.7°
C17C18C19C202.2°0.2°
C17C18C19H6180.0°180.0°
C17C18C19S21179.1°180.0°
C18C17C16H4179.5°179.9°
C20C19C18S21176.9°179.8°
C20C19S21O2383.0°89.8°
C20C19S21O22160.6°43.1°
C20C19C18H6177.8°179.8°
C20C19S21F132.2°156.7°
C18C19S21O2393.9°90.0°
C18C19S21O2222.6°137.1°
C19C18C17H5179.4°180.0°
C18C19C20H7177.3°179.8°
C18C19S21F1144.7°23.5°
C19S21O23O22115.9°123.0°
C19S21O23F158.6°114.1°
C19S21O22F188.8°114.2°
S21C19C18H60.9°0.0°
S21C19C20H70.3°0.0°
O23S21O22F123.4°122.9°
H4C16C17H50.5°0.0°
H5C17C18H60.6°0.0°

225158

PDB entries from 2024-09-18

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