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YER

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCsing1.35Å1.34Å
CO1doub1.21Å1.24Å
C1Csing1.48Å1.48Å
C1C2sing1.40Å1.39ÅAromatic
C2C3doub1.38Å1.38ÅAromatic
C3C4sing1.38Å1.38ÅAromatic
C4C5doub1.39Å1.39ÅAromatic
NC5sing1.40Å1.42Å
C6Nsing1.39Å1.36Å
C6N1sing1.32Å1.34ÅAromatic
N1C7doub1.32Å1.34ÅAromatic
C7C8sing1.39Å1.38ÅAromatic
C8C9doub1.39Å1.38ÅAromatic
C9N2sing1.32Å1.34ÅAromatic
N2C6doub1.32Å1.34ÅAromatic
C5C10sing1.39Å1.39ÅAromatic
C10C1doub1.40Å1.39ÅAromatic
C4H3sing1.08Å1.08Å
C7H5sing1.08Å1.08Å
C8H6sing1.08Å1.08Å
C10H8sing1.08Å1.08Å
OHsing0.97Å0.95Å
C3H2sing1.08Å1.08Å
C2H1sing1.08Å1.08Å
NH4sing0.97Å1.00Å
C9H7sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCO1123.7°120.0°
OCC1114.2°120.0°
COH109.5°117.1°
O1CC1122.0°120.0°
CC1C2120.3°120.1°
CC1C10120.2°120.1°
C1C2C3120.4°120.0°
C2C1C10119.2°119.8°
C1C2H1119.7°120.0°
C2C3C4120.4°120.2°
C2C3H2119.8°119.9°
C3C2H1119.8°120.0°
C3C4C5119.8°120.3°
C3C4H3120.1°119.9°
C4C3H2119.8°119.9°
C4C5N121.5°120.0°
C4C5C10119.8°120.0°
C5C4H3120.1°119.9°
C5NC6132.3°120.0°
NC5C10118.6°119.9°
C5NH4113.8°120.0°
NC6N1117.1°119.2°
NC6N2115.9°119.2°
C6NH4113.8°119.9°
C6N1C7115.5°120.7°
N1C6N2126.4°121.6°
N1C7C8123.4°119.2°
N1C7H5118.3°120.4°
C7C8C9115.7°118.6°
C8C7H5118.3°120.4°
C7C8H6122.1°120.7°
C8C9N2123.5°119.2°
C9C8H6122.2°120.7°
C8C9H7118.3°120.4°
C9N2C6115.5°120.7°
N2C9H7118.3°120.4°
C5C10C1120.2°119.8°
C5C10H8119.9°120.2°
C1C10H8119.9°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCO1C1179.5°180.0°
OCC1C232.7°0.1°
OCC1C10141.6°180.0°
O1CC1C2147.8°180.0°
O1CC1C1037.9°0.0°
O1COH0.0°0.1°
CC1C2C10174.4°180.0°
CC1C2C3172.4°179.7°
CC1C10C5175.3°180.0°
CC1C10H84.7°0.0°
C1COH179.5°180.0°
CC1C2H17.6°0.1°
C1C2C3H1180.0°179.8°
C1C2C3C42.0°0.5°
C2C1C10C50.9°0.0°
C2C1C10H8179.1°180.0°
C1C2C3H2178.0°180.0°
C2C3C4H2180.0°179.5°
C2C3C4C50.9°0.4°
C3C2C1C102.0°0.2°
C2C3C4H3179.1°179.7°
C3C4C5H3180.0°179.8°
C3C4C5N173.4°179.8°
C3C4C5C103.7°0.2°
C4C3C2H1178.0°179.7°
C4C5NC10177.2°180.0°
C4C5NC61.3°146.5°
C4C5C10C13.7°0.0°
C4C5C10H8176.3°180.0°
C5C4C3H2179.2°180.0°
C4C5NH4178.7°33.4°
C5NC6H4180.0°179.9°
C5NC6N111.5°174.4°
C5NC6N2177.2°5.5°
NC5C10C1173.5°180.0°
NC5C4H36.5°0.0°
NC5C10H86.5°0.0°
NC6N1N2170.3°180.0°
NC6N1C7167.8°180.0°
NC6N2C9168.1°180.0°
C6NC5C10175.9°33.5°
C6N1C7C80.8°0.0°
N1C6N2C92.3°0.0°
C6N1C7H5179.2°180.0°
N1C6NH4168.5°5.6°
N1C7C8H5180.0°180.0°
N1C7C8C90.6°0.0°
C7N1C6N22.4°0.0°
N1C7C8H6179.4°179.9°
C7C8C9H6180.0°179.9°
C7C8C9N20.8°0.1°
C7C8C9H7179.2°180.0°
C8C9N2H7180.0°180.0°
C8C9N2C60.5°0.1°
C9C8C7H5179.4°179.9°
N2C9C8H6179.2°180.0°
N2C6NH42.8°174.4°
C6N2C9H7179.5°180.0°
C5C10C1H8180.0°180.0°
C10C5C4H3176.3°180.0°
C10C5NH44.1°146.6°
C10C1C2H1178.0°180.0°
H3C4C3H20.8°0.2°
H5C7C8H60.6°0.0°
H6C8C9H70.8°0.1°
H2C3C2H12.0°0.2°

223532

PDB entries from 2024-08-07

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