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FVT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NC4sing1.47Å1.46Å
O2C3doub1.21Å1.21Å
C4C3sing1.51Å1.52Å
C1C2sing1.51Å1.50Å
C1Csing1.53Å1.52Å
C3Csing1.51Å1.51Å
OC2doub1.21Å1.22Å
C2O1sing1.34Å1.31Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
NH5sing1.01Å1.00Å
NH6sing1.01Å1.00Å
CH8sing1.09Å1.10Å
CH9sing1.09Å1.10Å
O1H10sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NC4C3115.1°109.5°
NC4H3108.0°109.5°
NC4H4108.0°109.5°
C4NH5109.5°111.0°
C4NH6109.4°111.0°
O2C3C4121.3°120.0°
O2C3C121.1°119.9°
C4C3C117.6°120.0°
C3C4H3108.1°109.5°
C3C4H4108.0°109.5°
C2C1C113.6°109.5°
C1C2O122.8°120.0°
C1C2O1113.7°120.0°
C2C1H1108.4°109.5°
C2C1H2108.4°109.5°
C1CC3111.7°109.5°
CC1H1108.4°109.5°
CC1H2108.4°109.5°
C1CH8108.9°109.5°
C1CH9108.9°109.5°
C3CH8108.9°109.4°
C3CH9108.9°109.5°
OC2O1123.5°120.0°
C2O1H10109.5°117.0°
H1C1H2109.5°109.5°
H3C4H4109.5°109.5°
H5NH6109.5°111.0°
H8CH9109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NC4C3O227.5°0.0°
NC4C3H3120.8°120.0°
NC4C3H4120.8°120.0°
NC4C3C152.8°180.0°
NC4H3H4117.4°120.0°
C4NH5H6120.0°123.9°
O2C3C4C179.7°180.0°
O2C3CC181.6°0.0°
O2C3C4H3148.3°120.0°
O2C3C4H493.3°120.0°
O2C3CH8158.1°120.0°
O2C3CH938.7°120.0°
C4C3CC198.1°180.0°
C3C4H3H4117.5°120.0°
C3C4NH5180.0°56.0°
C3C4NH660.0°180.0°
C4C3CH822.2°60.0°
C4C3CH9141.5°60.0°
C2C1CH1120.6°120.0°
C2C1CH2120.6°120.0°
C2C1CC3171.3°180.0°
C1C2OO1179.7°180.0°
C2C1H1H2118.1°120.0°
C2C1CH868.4°60.0°
C2C1CH951.0°60.0°
C1C2O1H10179.7°179.9°
C1CC3H8120.3°120.0°
C1CC3H9120.3°120.0°
CC1C2O112.4°0.1°
CC1C2O167.9°180.0°
CC1H1H2118.1°120.0°
C1CH8H9119.0°120.0°
C3CC1H150.7°60.0°
C3CC1H268.1°60.0°
CC3C4H332.0°60.0°
CC3C4H486.4°60.0°
C3CH8H9119.0°120.0°
OC2C1H18.2°119.9°
OC2C1H2127.0°120.1°
OC2O1H100.0°0.0°
O1C2C1H1171.5°60.0°
O1C2C1H252.8°60.0°
H1C1CH8171.1°60.0°
H1C1CH969.6°180.0°
H2C1CH852.3°180.0°
H2C1CH9171.6°60.0°
H3C4NH559.2°64.0°
H3C4NH660.8°59.9°
H4C4NH559.2°176.0°
H4C4NH6179.2°60.0°

217705

PDB entries from 2024-03-27

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