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FST

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1S2sing1.81Å1.67Å
S2O3doub1.42Å1.65Å
S2C4sing1.76Å1.61Å
C4C5doub1.38Å1.39ÅAromatic
C4C9sing1.38Å1.39ÅAromatic
C5C6sing1.38Å1.39ÅAromatic
C6C7doub1.39Å1.39ÅAromatic
C7C8sing1.39Å1.39ÅAromatic
C7O10sing1.36Å1.37Å
C8C9doub1.38Å1.40ÅAromatic
O10P11sing1.61Å1.61Å
P11S12doub1.86Å1.95Å
P11O13sing1.61Å1.61Å
P11O16sing1.61Å1.61Å
O13C14sing1.43Å1.43Å
C14C15sing1.53Å1.51Å
O16C17sing1.43Å1.43Å
C17C18sing1.53Å1.51Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C15H15Bsing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C18H18Bsing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1S2O3109.4°109.5°
C1S2C4108.9°103.0°
S2C1H1109.5°109.5°
S2C1H1A109.5°109.4°
S2C1H1B109.5°109.5°
O3S2C4114.0°103.0°
S2C4C5119.0°119.9°
S2C4C9122.0°119.9°
C5C4C9119.0°120.1°
C4C5C6120.8°120.1°
C4C5H5119.6°120.0°
C4C9C8120.2°120.0°
C4C9H9119.9°120.0°
C5C6C7120.2°119.9°
C6C5H5119.6°120.0°
C5C6H6119.9°120.1°
C6C7C8119.3°119.9°
C6C7O10119.8°120.1°
C7C6H6119.9°120.0°
C8C7O10120.9°120.0°
C7C8C9120.5°119.9°
C7C8H8119.8°120.0°
C7O10P11120.2°114.0°
C9C8H8119.8°120.0°
C8C9H9119.9°120.0°
O10P11S12111.7°109.5°
O10P11O13106.5°109.5°
O10P11O16106.3°109.5°
S12P11O13112.5°109.5°
S12P11O16113.6°109.4°
O13P11O16105.7°109.5°
P11O13C14121.0°123.0°
P11O16C17121.0°123.0°
O13C14C15109.5°109.5°
O13C14H14109.4°109.5°
O13C14H14A109.5°109.5°
C15C14H14109.5°109.5°
C15C14H14A109.5°109.5°
C14C15H15109.5°109.5°
C14C15H15A109.5°109.5°
C14C15H15B109.5°109.4°
O16C17C18109.7°109.5°
O16C17H17109.4°109.4°
O16C17H17A109.4°109.5°
C18C17H17109.4°109.5°
C18C17H17A109.4°109.5°
C17C18H18109.5°109.5°
C17C18H18A109.5°109.5°
C17C18H18B109.5°109.4°
H1C1H1A109.5°109.5°
H1C1H1B109.5°109.5°
H1AC1H1B109.5°109.5°
H14C14H14A109.5°109.5°
H15C15H15A109.4°109.5°
H15C15H15B109.5°109.4°
H15AC15H15B109.5°109.5°
H17C17H17A109.5°109.4°
H18C18H18A109.5°109.5°
H18C18H18B109.4°109.4°
H18AC18H18B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1S2O3C4122.2°109.1°
C1S2C4C5111.5°90.0°
C1S2C4C967.4°90.2°
S2C1H1H1A120.0°120.0°
S2C1H1H1B120.0°120.0°
S2C1H1AH1B120.0°120.0°
O3S2C4C5126.1°156.1°
O3S2C4C955.0°23.6°
O3S2C1H10.0°70.9°
O3S2C1H1A120.0°169.1°
O3S2C1H1B120.0°49.1°
S2C4C5C9178.9°179.8°
S2C4C5C6179.6°180.0°
S2C4C9C8179.6°179.8°
C4S2C1H1125.2°180.0°
C4S2C1H1A114.8°60.0°
S2C4C5H50.4°0.0°
S2C4C9H90.4°0.1°
C4S2C1H1B5.2°60.0°
C4C5C6H5180.0°180.0°
C4C5C6C70.3°0.0°
C5C4C9C80.7°0.5°
C4C5C6H6179.7°180.0°
C5C4C9H9179.3°179.6°
C9C4C5C60.6°0.3°
C4C9C8C70.4°0.5°
C4C9C8H9180.0°179.9°
C9C4C5H5179.4°179.8°
C4C9C8H8179.6°179.8°
C5C6C7H6180.0°180.0°
C5C6C7C80.0°0.0°
C5C6C7O10179.9°180.0°
C6C7C8O10179.9°180.0°
C6C7C8C90.1°0.2°
C6C7O10P1175.9°90.0°
C7C6C5H5179.7°180.0°
C6C7C8H8179.9°180.0°
C7C8C9H8180.0°179.8°
C8C7O10P11104.3°90.0°
C8C7C6H6180.0°180.0°
C7C8C9H9179.6°179.6°
O10C7C8C9180.0°179.8°
C7O10P11S1230.8°45.0°
C7O10P11O1392.4°75.1°
C7O10P11O16155.2°165.0°
O10C7C6H60.1°0.0°
O10C7C8H80.0°0.0°
O10P11S12O13119.8°120.0°
O10P11S12O16120.2°120.0°
O10P11O13O16112.8°120.0°
O10P11O13C1481.3°165.0°
O10P11O16C1738.0°165.0°
S12P11O13O16124.5°120.0°
S12P11O13C14156.0°44.9°
S12P11O16C1785.3°45.0°
P11O13C14C15173.8°180.0°
O13P11O16C17150.9°75.0°
P11O13C14H1453.8°60.0°
P11O13C14H14A66.2°60.0°
O16P11O13C1431.5°75.0°
P11O16C17C1892.5°180.0°
P11O16C17H17147.5°60.0°
P11O16C17H17A27.5°59.9°
O13C14C15H14120.0°120.0°
O13C14C15H14A120.0°120.0°
O13C14H14H14A119.9°120.0°
O13C14C15H15180.0°179.9°
O13C14C15H15A60.0°60.0°
O13C14C15H15B60.0°60.0°
C15C14H14H14A120.0°120.0°
C14C15H15H15A120.0°120.0°
C14C15H15H15B120.0°119.9°
C14C15H15AH15B120.0°120.0°
O16C17C18H17120.0°120.0°
O16C17C18H17A120.0°120.0°
O16C17H17H17A119.9°119.9°
O16C17C18H18180.0°60.0°
O16C17C18H18A60.0°60.0°
O16C17C18H18B60.0°180.0°
C18C17H17H17A119.9°120.0°
C17C18H18H18A120.0°120.0°
C17C18H18H18B120.0°119.9°
C17C18H18AH18B120.0°120.0°
H1C1H1AH1B120.0°120.0°
H5C5C6H60.3°0.0°
H8C8C9H90.4°0.1°
H14C14C15H1560.0°59.9°
H14C14C15H15A180.0°180.0°
H14C14C15H15B60.0°60.0°
H14AC14C15H1560.0°60.0°
H14AC14C15H15A60.0°60.0°
H14AC14C15H15B180.0°180.0°
H15C15H15AH15B120.0°120.0°
H17C17C18H1860.0°180.0°
H17C17C18H18A180.0°60.0°
H17C17C18H18B60.0°60.0°
H17AC17C18H1860.0°60.0°
H17AC17C18H18A60.1°180.0°
H17AC17C18H18B180.0°59.9°
H18C18H18AH18B120.0°120.0°

217705

PDB entries from 2024-03-27

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