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NBZ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.39ÅAromatic
C1C6sing1.38Å1.40ÅAromatic
C1H1sing1.08Å1.10Å
C2C3sing1.38Å1.39ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.38Å1.39ÅAromatic
C3H3sing1.08Å1.10Å
C4C5sing1.38Å1.39ÅAromatic
C4H4sing1.08Å1.10Å
C5C6doub1.38Å1.40ÅAromatic
C5H5sing1.08Å1.10Å
C6N1sing1.48Å1.47Å
N1O1sing1.22Å1.24Å
N1O2doub1.22Å1.25Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6120.9°120.0°
C2C1H1119.1°120.0°
C1C2C3120.2°120.0°
C1C2H2119.8°120.0°
C6C1H1120.0°120.0°
C1C6C5118.4°120.0°
C1C6N1120.9°120.0°
C3C2H2120.0°120.0°
C2C3C4119.3°120.0°
C2C3H3120.3°120.0°
C4C3H3120.3°120.0°
C3C4C5120.5°120.0°
C3C4H4119.8°120.0°
C5C4H4119.7°120.0°
C4C5C6120.5°120.0°
C4C5H5119.3°120.0°
C6C5H5120.2°120.0°
C5C6N1120.7°120.0°
C6N1O1121.7°120.0°
C6N1O2121.8°120.0°
O1N1O2116.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1180.0°179.6°
C1C2C3H2180.0°179.9°
C1C2C3C42.6°0.2°
C1C2C3H3177.3°179.9°
C2C1C6C53.4°0.5°
C2C1C6N1176.9°179.8°
C6C1C2C31.6°0.4°
C6C1C2H2178.4°179.7°
C1C6C5C41.1°0.3°
C1C6C5N1179.6°179.7°
C1C6C5H5178.9°179.8°
C1C6N1O13.3°179.7°
C1C6N1O2172.5°0.6°
H1C1C2C3178.4°180.0°
H1C1C2H21.6°0.1°
H1C1C6C5176.6°179.9°
H1C1C6N13.0°0.2°
C2C3C4H3180.0°179.9°
C2C3C4C54.9°0.0°
C2C3C4H4175.1°180.0°
H2C2C3C4177.4°179.9°
H2C2C3H32.6°0.0°
C3C4C5H4180.0°180.0°
C3C4C5C63.1°0.0°
C3C4C5H5176.9°180.0°
H3C3C4C5175.0°179.9°
H3C3C4H44.9°0.1°
C4C5C6H5180.0°180.0°
C4C5C6N1179.3°180.0°
H4C4C5C6177.0°179.9°
H4C4C5H53.1°0.0°
C5C6N1O1177.0°0.0°
C5C6N1O27.1°179.7°
H5C5C6N10.7°0.0°
C6N1O1O2176.0°179.7°

227344

PDB entries from 2024-11-13

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