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SummaryGeometryPCM/PTMRelated PDB entries

WY4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
S1C2sing1.81Å1.74Å
S1C61sing1.84Å1.78Å
C2C3sing1.50Å1.35Å
C2HC21sing1.09Å1.12Å
C2HC22sing1.09Å1.11Å
C3N4doub1.29Å1.40Å
C3C31sing1.49Å1.43Å
N4C5sing1.37Å1.35Å
C5C6doub1.34Å1.35Å
C5HC5sing1.09Å1.10Å
C6C7sing1.48Å1.45Å
C6C61sing1.51Å1.49Å
C7O8doub1.22Å1.21Å
C7HC7sing1.10Å1.10Å
C31O32doub1.20Å1.22Å
C31O33sing1.34Å1.33Å
C61C62sing1.51Å1.55Å
C61H61sing1.10Å1.12Å
C62N63sing1.38Å1.36ÅAromatic
C62C66doub1.38Å1.37ÅAromatic
N63C64doub1.32Å1.29ÅAromatic
C64N65sing1.37Å1.39ÅAromatic
C64C67sing1.49Å1.52Å
N65C66sing1.36Å1.35ÅAromatic
N65C70sing1.45Å1.48Å
C66H66sing1.08Å1.10Å
C67O68sing1.44Å1.44Å
C67H671sing1.09Å1.11Å
C67H672sing1.09Å1.12Å
O68C69sing1.43Å1.42Å
C69C70sing1.52Å1.55Å
C69H691sing1.09Å1.11Å
C69H692sing1.10Å1.12Å
C70H701sing1.09Å1.12Å
C70H702sing1.10Å1.11Å
HO1O33sing0.98Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C2S1C61107.4°102.1°
S1C2C3127.9°107.1°
S1C2HC21105.7°112.1°
S1C2HC22105.7°108.6°
S1C61C6113.3°118.2°
S1C61C62115.5°110.2°
S1C61H61102.2°102.8°
C3C2HC21105.8°112.1°
C3C2HC22105.8°109.5°
C2C3N4124.5°126.9°
C2C3C31118.9°117.0°
HC21C2HC22103.6°107.4°
N4C3C31116.5°116.0°
C3N4C5137.4°118.6°
C3C31O32117.4°123.5°
C3C31O33118.1°108.5°
N4C5C6130.4°128.9°
N4C5HC5114.6°112.3°
C6C5HC5114.9°118.7°
C5C6C7111.8°113.6°
C5C6C61127.7°131.1°
C7C6C61120.4°115.3°
C6C7O8119.9°122.1°
C6C7HC7128.7°114.4°
C6C61C62109.6°112.2°
C6C61H61109.0°106.9°
O8C7HC7111.4°123.5°
O32C31O33124.5°128.0°
C31O33HO1109.5°110.9°
C62C61H61106.5°105.2°
C61C62N63122.9°120.5°
C61C62C66129.7°128.1°
N63C62C66107.4°111.4°
C62N63C64109.7°105.0°
C62C66N65107.3°104.2°
C62C66H66127.1°132.7°
N63C64N65108.6°110.7°
N63C64C67129.2°128.2°
N65C64C67122.2°121.1°
C64N65C66107.1°108.7°
C64N65C70123.4°123.0°
C64C67O68107.7°109.9°
C64C67H671112.9°110.9°
C64C67H672112.9°110.6°
C66N65C70129.3°128.2°
N65C66H66125.6°123.1°
N65C70C69108.9°110.1°
N65C70H701112.4°108.9°
N65C70H702112.4°106.0°
O68C67H671112.9°109.2°
O68C67H672112.9°107.8°
C67O68C69113.3°112.2°
H671C67H67297.6°108.5°
O68C69C70114.9°109.1°
O68C69H691110.2°108.3°
O68C69H692110.2°109.6°
C70C69H691110.2°110.1°
C70C69H692110.2°111.8°
C69C70H701112.4°111.5°
C69C70H702112.4°110.6°
H691C69H692100.0°107.9°
H701C70H70298.0°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
S1C2C3HC21125.2°123.3°
S1C2C3HC22125.2°117.6°
S1C2HC21HC22110.9°119.2°
S1C2C3N48.4°76.9°
S1C2C3C31174.0°101.0°
C2S1C61C665.8°9.2°
C2S1C61C6261.9°140.1°
C2S1C61H61177.0°108.1°
C61S1C2C347.1°71.3°
C61S1C2HC2178.2°52.0°
C61S1C2HC22172.4°170.6°
S1C61C6C546.7°34.3°
S1C61C6C7136.2°145.1°
S1C61C6C62130.6°130.0°
S1C61C6H61113.1°115.1°
S1C61C62H61112.7°110.1°
S1C61C62N63172.0°70.0°
S1C61C62C6610.4°110.2°
C3C2HC21HC22111.1°120.3°
C2C3N4C31177.7°178.0°
C2C3N4C58.9°2.2°
C2C3C31O32168.6°90.0°
C2C3C31O3310.0°90.0°
HC21C2C3N4116.9°46.4°
HC21C2C3C3160.8°135.7°
HC22C2C3N4133.6°165.5°
HC22C2C3C3148.7°16.6°
C3N4C5C66.7°50.4°
C3N4C5HC5173.3°133.1°
N4C3C31O329.3°88.2°
N4C3C31O33172.2°91.8°
C31C3N4C5168.8°179.8°
C3C31O32O33178.4°180.0°
C3C31O33HO1178.4°180.0°
N4C5C6HC5180.0°176.3°
N4C5C6C7178.0°177.9°
N4C5C6C614.8°2.6°
C5C6C7C61177.5°179.6°
C5C6C7O89.9°180.0°
C5C6C7HC7170.1°0.0°
C5C6C61C6283.9°95.7°
C5C6C61H61159.8°149.5°
HC5C5C6C72.1°1.6°
HC5C5C6C61175.2°178.9°
C6C7O8HC7180.0°179.9°
C7C6C61C6293.2°84.9°
C7C6C61H6123.1°30.0°
C61C6C7O8167.6°0.4°
C61C6C7HC712.4°179.5°
C6C61C62H61117.8°115.9°
C6C61C62N6358.5°64.0°
C6C61C62C66119.1°115.8°
O32C31O33HO10.0°0.0°
C61C62N63C66178.1°179.9°
C61C62N63C64177.4°179.8°
C61C62C66N65177.0°179.9°
C61C62C66H663.0°0.4°
H61C61C62N6359.3°179.9°
H61C61C62C66123.1°0.0°
C62N63C64N650.1°0.2°
C62N63C64C67178.8°178.1°
N63C62C66N650.8°0.0°
N63C62C66H66179.1°179.5°
C66C62N63C640.6°0.1°
C62C66N65C640.8°0.1°
C62C66N65H66179.9°179.5°
C62C66N65C70175.3°177.5°
N63C64N65C67179.1°178.1°
N63C64N65C660.4°0.2°
N63C64N65C70175.9°177.8°
N63C64C67O68154.2°162.5°
N63C64C67H67128.9°76.7°
N63C64C67H67280.6°43.6°
C64N65C66C70176.0°177.4°
C64N65C66H66179.2°179.4°
N65C64C67O6824.7°19.8°
N65C64C67H671150.0°101.0°
N65C64C67H672100.6°138.6°
C64N65C70C697.9°17.9°
C64N65C70H701133.2°140.4°
C64N65C70H702117.4°101.7°
C67C64N65C66179.4°178.3°
C67C64N65C703.1°4.1°
C64C67O68H671125.3°121.8°
C64C67O68H672125.3°120.6°
C64C67H671H672118.8°121.6°
C64C67O68C6954.1°52.4°
C66N65C70C69176.7°165.0°
C66N65C70H70151.4°42.5°
C66N65C70H70258.1°75.4°
C70N65C66H664.8°2.0°
N65C70C69O6837.1°48.0°
N65C70C69H701125.2°121.0°
N65C70C69H702125.2°116.8°
N65C70C69H691162.4°166.7°
N65C70C69H69288.1°73.4°
N65C70H701H702118.3°115.6°
O68C67H671H672118.8°117.2°
C67O68C69C7064.6°68.7°
C67O68C69H691170.1°171.5°
C67O68C69H69260.7°54.1°
H671C67O68C69179.4°69.4°
H672C67O68C6971.2°172.9°
O68C69C70H691125.3°118.7°
O68C69C70H692125.2°121.4°
O68C69H691H692116.0°118.5°
O68C69C70H701162.3°168.9°
O68C69C70H70288.1°68.8°
C70C69H691H692116.1°122.3°
C69C70H701H702118.4°122.8°
H691C69C70H70172.4°72.3°
H691C69C70H70237.1°49.9°
H692C69C70H70137.1°47.6°
H692C69C70H702146.6°169.8°

251422

PDB entries from 2026-04-01

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