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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O2doub1.22Å1.24Å
C1N3sing1.35Å1.32Å
C1N4sing1.35Å1.34Å
N3HN31sing0.97Å1.00Å
N3HN32sing0.97Å1.00Å
N4C5sing1.46Å1.48Å
N4HN4sing0.97Å1.00Å
C5H51sing1.09Å1.10Å
C5H52sing1.09Å1.10Å
C5H53sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C1N3117.9°120.0°
O2C1N4123.7°120.0°
N3C1N4118.3°120.1°
C1N3HN31124.2°120.0°
C1N3HN32111.6°120.0°
C1N4C5123.3°120.1°
C1N4HN4118.3°119.9°
HN31N3HN32124.2°120.0°
C5N4HN4118.3°120.0°
N4C5H51109.5°109.5°
N4C5H52109.5°109.5°
N4C5H53109.5°109.5°
H51C5H52109.5°109.5°
H51C5H53109.5°109.5°
H52C5H53109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C1N3N4180.0°180.0°
O2C1N3HN31180.0°180.0°
O2C1N3HN320.0°0.0°
O2C1N4C50.1°0.0°
O2C1N4HN4179.9°180.0°
C1N3HN31HN32180.0°180.0°
N3C1N4C5179.9°180.0°
N3C1N4HN40.0°0.0°
N4C1N3HN310.1°0.0°
N4C1N3HN32180.0°180.0°
C1N4C5HN4180.0°180.0°
C1N4C5H5184.4°180.0°
C1N4C5H5235.6°60.0°
C1N4C5H53155.6°60.0°
N4C5H51H52120.0°120.0°
N4C5H51H53120.0°120.0°
N4C5H52H53120.0°120.0°
HN4N4C5H5195.6°0.0°
HN4N4C5H52144.4°120.0°
HN4N4C5H5324.4°120.0°
H51C5H52H53120.0°120.0°

222926

PDB entries from 2024-07-24

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