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FYK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1Cdoub1.21Å1.22Å
COsing1.34Å1.31Å
CC1sing1.51Å1.50Å
CLC5sing1.74Å1.74Å
C1C2sing1.53Å1.52Å
C4C5doub1.38Å1.39ÅAromatic
C4C3sing1.39Å1.39ÅAromatic
C2Nsing1.47Å1.47Å
C5C6sing1.39Å1.40ÅAromatic
C3Nsing1.40Å1.39Å
C3C11doub1.39Å1.38ÅAromatic
NC12sing1.35Å1.36Å
C6O2sing1.36Å1.37Å
C6C10doub1.39Å1.39ÅAromatic
O2C7sing1.43Å1.45Å
C11C10sing1.39Å1.37ÅAromatic
C11O3sing1.36Å1.38Å
C12O4doub1.22Å1.21Å
C12O3sing1.34Å1.38Å
C9C7sing1.53Å1.48Å
C9C8sing1.53Å1.50Å
C7C8sing1.53Å1.48Å
C4H1sing1.08Å1.08Å
C7H2sing1.09Å1.10Å
C8H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C10H5sing1.08Å1.08Å
C2H6sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
C1H9sing1.09Å1.10Å
OH10sing0.97Å0.95Å
C9H11sing1.09Å1.10Å
C9H12sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1CO123.7°120.0°
O1CC1123.4°120.0°
OCC1112.9°120.0°
COH10109.5°117.1°
CC1C2113.5°109.5°
CC1H8108.5°109.5°
CC1H9108.5°109.5°
CLC5C4118.6°120.0°
CLC5C6119.7°119.9°
C1C2N111.9°109.5°
C1C2H6108.9°109.4°
C1C2H7108.9°109.5°
C2C1H8108.4°109.4°
C2C1H9108.4°109.5°
C5C4C3117.3°119.9°
C4C5C6121.7°120.1°
C5C4H1121.3°120.1°
C4C3N133.1°133.3°
C4C3C11121.1°120.1°
C3C4H1121.4°120.0°
C2NC3125.7°126.3°
C2NC12123.8°126.2°
NC2H6108.9°109.4°
NC2H7108.8°109.5°
C5C6O2115.7°119.9°
C5C6C10120.1°120.2°
NC3C11105.8°106.6°
C3NC12109.4°107.5°
C3C11C10122.0°119.8°
C3C11O3109.5°107.3°
NC12O4129.2°125.3°
NC12O3108.0°109.4°
O2C6C10124.2°119.9°
C6O2C7118.7°117.0°
C6C10C11117.8°119.9°
C6C10H5121.1°120.1°
O2C7C9108.8°117.5°
O2C7C8115.0°117.5°
O2C7H2119.8°115.5°
C10C11O3128.5°132.9°
C11C10H5121.1°120.0°
C11O3C12107.3°109.2°
O4C12O3122.8°125.3°
C7C9C859.3°60.0°
C9C7C860.8°60.0°
C9C7H2119.0°117.5°
C7C9H11120.1°117.5°
C7C9H12120.1°117.5°
C9C8C759.9°60.0°
C9C8H3120.0°117.5°
C9C8H4120.0°117.6°
C8C9H11120.1°117.5°
C8C9H12120.1°117.5°
C8C7H2119.2°117.5°
C7C8H3120.0°117.5°
C7C8H4120.0°117.5°
H3C8H4109.5°115.5°
H6C2H7109.5°109.5°
H8C1H9109.5°109.5°
H11C9H12109.5°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1COC1179.1°179.9°
O1CC1C223.1°0.1°
O1CC1H897.5°120.0°
O1CC1H9143.7°120.0°
O1COH100.0°0.1°
OCC1C2156.1°180.0°
OCC1H883.4°60.1°
OCC1H935.5°60.0°
CC1C2H8120.6°120.0°
CC1C2H9120.6°120.0°
CC1C2N171.1°180.0°
CC1C2H650.7°60.1°
CC1C2H768.5°60.0°
CC1H8H9118.2°120.0°
C1COH10179.1°180.0°
CLC5C4C6179.6°179.9°
CLC5C4C3179.8°179.9°
CLC5C6O22.9°0.1°
CLC5C6C10179.0°180.0°
CLC5C4H10.2°0.2°
C1C2NH6120.4°119.9°
C1C2NH7120.4°120.1°
C1C2NC387.3°89.9°
C1C2NC1279.3°90.0°
C1C2H6H7118.9°120.0°
C2C1H8H9118.1°120.0°
C5C4C3H1180.0°179.8°
C5C4C3N179.5°180.0°
C5C4C3C110.5°0.1°
C4C5C6O2177.5°180.0°
C4C5C6C100.6°0.1°
C4C3NC212.2°0.0°
C3C4C5C60.2°0.1°
C4C3NC11180.0°179.9°
C4C3NC12179.7°179.9°
C4C3C11C100.0°0.1°
C4C3C11O3180.0°180.0°
C2NC3C12168.2°179.9°
C2NC3C11167.8°179.9°
C2NC12O412.4°0.1°
C2NC12O3167.9°180.0°
NC2H6H7118.9°120.0°
NC2C1H868.3°60.0°
NC2C1H950.5°60.0°
C5C6O2C10178.0°179.9°
C5C6O2C7161.9°173.2°
C5C6C10C111.0°0.1°
C6C5C4H1179.8°179.7°
C5C6C10H5179.0°179.9°
NC3C11C10180.0°180.0°
NC3C11O30.0°0.1°
C3NC12O4179.2°179.9°
C3NC12O30.6°0.1°
NC3C4H10.5°0.2°
C3NC2H6152.3°30.0°
C3NC2H733.1°150.0°
C11C3NC120.4°0.0°
C3C11C10C60.7°0.1°
C3C11C10O3180.0°179.9°
C3C11O3C120.3°0.1°
C11C3C4H1179.5°179.7°
C3C11C10H5179.3°179.9°
NC12O3C110.5°0.1°
NC12O4O3179.7°179.9°
C12NC2H641.1°150.1°
C12NC2H7160.4°30.1°
O2C6C10C11176.9°179.9°
C6O2C7C9142.6°133.8°
C6O2C7C876.8°157.6°
C6O2C7H275.7°11.9°
O2C6C10H53.1°0.1°
C10C6O2C720.0°6.9°
C6C10C11H5180.0°180.0°
C6C10C11O3179.2°180.0°
O2C7C9C8108.7°107.5°
O2C7C9H2142.0°145.0°
O2C7C8H2152.6°145.0°
O2C7C8H3152.1°0.0°
O2C7C8H411.0°144.9°
O2C7C9H11142.0°145.0°
O2C7C9H120.6°0.0°
C10C11O3C12179.6°180.0°
C11O3C12O4179.2°180.0°
O3C11C10H50.8°0.0°
C7C9C8H11109.3°107.5°
C7C9C8H12109.3°107.5°
C9C7C8H2108.9°107.5°
C7C9C8H3109.4°107.5°
C7C9C8H4109.4°107.5°
C7C9H11H12145.1°145.7°
C9C8H3H4144.8°145.7°
C8C9H11H12145.1°145.7°
C7C8H3H4144.8°145.6°
H2C7C8H30.5°145.0°
H2C7C8H4141.7°0.1°
H2C7C9H110.0°0.0°
H2C7C9H12141.4°145.0°
H3C8C9H110.1°145.0°
H3C8C9H12141.3°0.0°
H4C8C9H11141.3°0.0°
H4C8C9H120.1°145.0°
H6C2C1H8171.3°179.9°
H6C2C1H969.9°59.9°
H7C2C1H852.1°60.0°
H7C2C1H9170.9°180.0°

217705

PDB entries from 2024-03-27

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