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TA5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAdoub1.34Å1.35ÅAromatic
NN2sing1.34Å1.42ÅAromatic
CACBsing1.47Å1.52Å
CACsing1.40Å1.40ÅAromatic
CBOGsing1.43Å1.43Å
CBHBC1sing1.11Å1.12Å
CBHBC2sing1.11Å1.12Å
OGHGsing0.97Å0.95Å
NTCdoub1.34Å1.35ÅAromatic
NTN2sing1.34Å1.40ÅAromatic
CHsing1.08Å1.10Å
N2H2sing1.01Å1.02Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANN2110.6°100.9°
NCACB129.1°121.0°
NCAC106.5°109.8°
NN2NT104.7°118.5°
NN2H2114.0°120.7°
CBCAC124.4°129.2°
CACBOG106.8°110.2°
CACBHBC1113.2°112.5°
CACBHBC2113.2°112.2°
CACNT109.3°109.9°
CACH126.7°130.2°
OGCBHBC1113.2°107.7°
OGCBHBC2113.2°107.7°
CBOGHG106.8°106.3°
HBC1CBHBC297.3°106.3°
CNTN2108.9°100.9°
NTCH124.0°120.0°
NTN2H2114.0°120.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NCACBC179.3°180.0°
NCACBOG28.7°90.0°
NCACBHBC1154.0°30.2°
NCACBHBC296.5°149.9°
NCACNT0.3°0.0°
CANN2NT0.0°0.0°
NCACH179.7°180.0°
CANN2H2125.3°179.9°
N2NCACB179.6°180.0°
N2NCAC0.1°0.0°
NN2NTC0.2°0.1°
NN2NTH2125.2°179.9°
CACBOGHBC1125.3°123.1°
CACBOGHBC2125.3°122.7°
CACBHBC1HBC2119.1°123.1°
CACBOGHG180.0°165.2°
CBCACNT179.7°180.0°
CBCACH0.3°0.0°
CCACBOG152.0°90.0°
CCACBHBC126.7°149.8°
CCACBHBC282.8°30.1°
CACNTH180.0°180.0°
CACNTN20.3°0.1°
OGCBHBC1HBC2119.1°115.2°
HBC1CBOGHG54.7°42.2°
HBC2CBOGHG54.8°72.1°
CNTN2H2125.4°179.9°
N2NTCH179.7°180.0°

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PDB entries from 2024-07-24

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