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SummaryGeometryRelated PDB entries

BU5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C02C01doub1.34Å1.38ÅAromatic
C02N03sing1.37Å1.40ÅAromatic
C01C05sing1.46Å1.43ÅAromatic
N03C04sing1.37Å1.41ÅAromatic
C15O16sing1.43Å1.40Å
C15C12sing1.51Å1.50Å
C05C04doub1.41Å1.43ÅAromatic
C05C06sing1.41Å1.39ÅAromatic
N11C12sing1.31Å1.40ÅAromatic
N11C10doub1.30Å1.32ÅAromatic
C12C13doub1.34Å1.37ÅAromatic
C04N09sing1.33Å1.36ÅAromatic
C10C06sing1.48Å1.45Å
C10S14sing1.76Å1.73ÅAromatic
C06C07doub1.40Å1.38ÅAromatic
C13S14sing1.76Å1.71ÅAromatic
N09C08doub1.32Å1.34ÅAromatic
C07C08sing1.38Å1.42ÅAromatic
C13H1sing1.08Å1.08Å
C15H2sing1.09Å1.10Å
C15H3sing1.09Å1.10Å
C01H4sing1.08Å1.08Å
C02H5sing1.08Å1.08Å
C07H6sing1.08Å1.08Å
C08H7sing1.08Å1.08Å
N03H8sing0.97Å1.00Å
O16H9sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01C02N03110.0°109.8°
C02C01C05107.5°106.9°
C02C01H4126.3°126.6°
C01C02H5125.0°125.1°
C02N03C04107.4°109.9°
N03C02H5125.0°125.0°
C02N03H8126.3°125.0°
C01C05C04107.2°106.3°
C01C05C06135.7°134.3°
C05C01H4126.2°126.5°
N03C04C05107.8°107.0°
N03C04N09126.0°133.1°
C04N03H8126.3°125.0°
O16C15C12106.9°109.5°
O16C15H2110.1°109.5°
O16C15H3110.1°109.5°
C15O16H9109.5°114.1°
C15C12N11118.7°122.1°
C15C12C13126.9°122.0°
C12C15H2110.1°109.4°
C12C15H3110.1°109.5°
C04C05C06117.1°119.3°
C05C04N09126.2°119.9°
C05C06C10119.5°121.1°
C05C06C07118.6°117.7°
C12N11C10110.1°117.0°
N11C12C13114.3°115.9°
N11C10C06124.2°125.5°
N11C10S14115.1°109.1°
C12C13S14111.2°108.2°
C12C13H1124.5°125.9°
C04N09C08114.0°121.9°
C06C10S14120.6°125.5°
C10C06C07121.9°121.2°
C10S14C1389.3°89.8°
C06C07C08119.3°119.2°
C06C07H6120.4°120.4°
S14C13H1124.4°125.9°
N09C08C07124.9°121.8°
N09C08H7117.5°119.1°
C08C07H6120.4°120.4°
C07C08H7117.6°119.1°
H2C15H3109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01C02N03H5180.0°179.9°
C02C01C05H4180.0°179.7°
C01C02N03C040.1°0.3°
C02C01C05C040.3°0.2°
C02C01C05C06179.8°179.8°
C01C02N03H8179.9°180.0°
N03C02C01C050.3°0.0°
C02N03C04H8180.0°179.7°
C02N03C04C050.1°0.4°
C02N03C04N09179.7°180.0°
N03C02C01H4179.7°179.7°
C01C05C04N030.2°0.4°
C01C05C04C06179.6°180.0°
C01C05C04N09179.9°179.9°
C01C05C06C100.1°0.1°
C01C05C06C07179.6°179.9°
C05C01C02H5179.8°180.0°
N03C04C05N09179.6°179.7°
N03C04C05C06179.8°179.6°
N03C04N09C08180.0°179.5°
C04N03C02H5179.9°179.8°
O16C15C12H2119.6°120.0°
O16C15C12H3119.6°120.1°
O16C15C12N11172.3°179.9°
O16C15C12C137.5°0.0°
O16C15H2H3121.2°120.0°
C15C12N11C13179.8°179.9°
C15C12N11C10179.8°179.8°
C15C12C13S14179.8°180.0°
C15C12C13H10.2°0.2°
C12C15H2H3121.1°120.0°
C12C15O16H9180.0°180.0°
C04C05C06C10179.3°180.0°
C04C05C06C070.2°0.0°
C05C04N09C080.4°0.0°
C04C05C01H4179.7°179.9°
C05C04N03H8179.9°179.9°
C05C06C10N1112.7°179.7°
C06C05C04N090.5°0.0°
C05C06C10C07179.5°180.0°
C05C06C10S14166.2°0.0°
C05C06C07C080.2°0.0°
C06C05C01H40.2°0.1°
C05C06C07H6179.8°179.9°
C12N11C10C06179.3°180.0°
C12N11C10S140.5°0.2°
N11C12C13S140.5°0.1°
N11C12C13H1179.5°179.8°
N11C12C15H268.1°59.9°
N11C12C15H352.6°60.0°
C10N11C12C130.0°0.1°
N11C10C06S14178.8°179.7°
N11C10C06C07167.8°0.3°
N11C10S14C130.6°0.2°
C12C13S14C100.6°0.2°
C12C13S14H1180.0°179.8°
C13C12C15H2112.1°120.0°
C13C12C15H3127.1°120.0°
C04N09C08C070.0°0.0°
C04N09C08H7180.0°180.0°
N09C04N03H80.3°0.3°
C06C10S14C13179.5°180.0°
C10C06C07C08179.7°180.0°
C10C06C07H60.3°0.1°
S14C10C06C0713.4°180.0°
C10S14C13H1179.4°179.9°
C06C07C08N090.3°0.0°
C06C07C08H6180.0°179.9°
C06C07C08H7179.7°180.0°
N09C08C07H7180.0°180.0°
N09C08C07H6179.7°179.9°
H2C15O16H960.4°60.1°
H3C15O16H960.4°59.9°
H4C01C02H50.2°0.2°
H5C02N03H80.1°0.1°
H6C07C08H70.3°0.1°

225946

PDB entries from 2024-10-09

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