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GBD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O13C1sing1.35Å1.22Å
O13H13sing0.97Å0.95Å
C1O11doub1.21Å1.33Å
C1C3sing1.47Å1.48Å
C3N2doub1.32Å1.33ÅAromatic
C3C4sing1.39Å1.48ÅAromatic
N2S1sing1.58Å1.65ÅAromatic
S1N5sing1.70Å1.65ÅAromatic
C4O4sing1.36Å1.48Å
C4N5doub1.32Å1.33ÅAromatic
O4HO4sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1O13H13120.6°120.0°
O13C1O11120.6°120.0°
O13C1C3121.5°120.0°
O11C1C3117.8°120.0°
C1C3N2126.9°121.6°
C1C3C4124.5°121.7°
N2C3C4108.6°116.7°
C3N2S1111.0°105.3°
C3C4O4124.0°123.0°
C3C4N5115.3°114.2°
N2S1N597.2°100.7°
S1N5C4107.1°103.1°
O4C4N5120.6°122.9°
C4O4HO4124.0°106.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O13C1O11C3178.6°180.0°
O13C1C3N2147.8°0.0°
O13C1C3C431.9°179.7°
H13O13C1O11179.9°0.0°
H13O13C1C31.4°180.0°
O11C1C3N230.8°179.9°
O11C1C3C4149.6°0.2°
C1C3N2C4179.7°179.7°
C1C3N2S1174.5°180.0°
C1C3C4O40.9°0.2°
C1C3C4N5179.9°179.8°
C3N2S1N57.6°0.0°
N2C3C4O4179.4°179.9°
N2C3C4N50.3°0.5°
C4C3N2S15.2°0.3°
C3C4N5S15.4°0.4°
C3C4O4N5179.1°179.6°
C3C4O4HO4180.0°90.4°
N2S1N5C47.3°0.2°
S1N5C4O4175.4°180.0°
N5C4O4HO41.0°90.0°

248942

PDB entries from 2026-02-11

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