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B7V

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC14sing1.74Å1.73Å
C15C14doub1.38Å1.38ÅAromatic
C15C16sing1.38Å1.38ÅAromatic
C14C12sing1.39Å1.39ÅAromatic
C16C10doub1.39Å1.39ÅAromatic
C12O2sing1.36Å1.37Å
C12C11doub1.39Å1.39ÅAromatic
O2C13sing1.43Å1.44Å
C10C11sing1.39Å1.39ÅAromatic
C10N4sing1.40Å1.41Å
N4C9sing1.40Å1.37Å
OC1doub1.22Å1.23Å
C9N3doub1.31Å1.31ÅAromatic
C9Csing1.42Å1.44ÅAromatic
C4O1sing1.43Å1.45Å
C4C3sing1.53Å1.53Å
N3N1sing1.40Å1.37ÅAromatic
O1C5sing1.43Å1.43Å
C1Csing1.47Å1.48Å
C1Nsing1.35Å1.32Å
CC2doub1.38Å1.37ÅAromatic
N1C2sing1.34Å1.34ÅAromatic
N1C3sing1.46Å1.48Å
C3C7sing1.53Å1.57Å
C5C6sing1.53Å1.51Å
C7C6sing1.53Å1.54Å
C7C8sing1.47Å1.47Å
C8N2trip1.14Å1.14Å
C2H1sing1.08Å1.08Å
C3H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C11H4sing1.08Å1.08Å
C13H5sing1.09Å1.10Å
C13H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C15H8sing1.08Å1.08Å
C16H9sing1.08Å1.08Å
N4H10sing0.97Å1.00Å
NH11sing0.97Å1.00Å
NH12sing0.97Å1.00Å
C6H13sing1.09Å1.10Å
C6H14sing1.09Å1.10Å
C5H15sing1.09Å1.10Å
C5H16sing1.09Å1.10Å
C4H17sing1.09Å1.10Å
C4H18sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC14C15119.5°120.0°
CLC14C12119.5°120.0°
C14C15C16119.8°120.1°
C15C14C12121.0°120.0°
C14C15H8120.1°119.9°
C15C16C10119.9°120.0°
C16C15H8120.1°119.9°
C15C16H9120.1°120.0°
C14C12O2116.8°120.0°
C14C12C11118.9°120.0°
C16C10C11120.1°119.9°
C16C10N4120.2°120.0°
C10C16H9120.0°120.0°
O2C12C11124.2°120.1°
C12O2C13118.3°117.0°
C12C11C10120.2°119.9°
C12C11H4119.9°120.0°
O2C13H5109.5°109.5°
O2C13H6109.4°109.5°
O2C13H7109.5°109.5°
C11C10N4119.7°120.0°
C10C11H4119.9°120.1°
C10N4C9130.0°120.0°
C10N4H10115.0°120.0°
N4C9N3126.7°126.0°
N4C9C121.5°126.1°
C9N4H10115.0°120.0°
OC1C119.9°120.0°
OC1N123.0°120.0°
N3C9C111.8°107.8°
C9N3N1103.8°108.8°
C9CC1126.2°126.4°
C9CC2104.5°107.1°
O1C4C3113.6°109.4°
C4O1C5111.3°114.1°
O1C4H17108.4°109.5°
O1C4H18108.4°109.5°
C4C3N1110.6°109.6°
C4C3C7109.3°109.1°
C4C3H2108.2°109.5°
C3C4H17108.4°109.5°
C3C4H18108.4°109.5°
N3N1C2113.5°108.7°
N3N1C3118.3°125.6°
O1C5C6112.4°109.4°
O1C5H15108.7°109.5°
O1C5H16108.8°109.5°
CC1N117.1°120.0°
C1CC2129.2°126.5°
C1NH11120.0°120.1°
C1NH12120.0°120.0°
CC2N1106.4°107.6°
CC2H1126.8°126.2°
C2N1C3128.2°125.7°
N1C2H1126.8°126.2°
N1C3C7112.0°109.5°
N1C3H2108.9°109.6°
C3C7C6109.3°109.0°
C3C7C8109.6°109.5°
C7C3H2107.8°109.5°
C3C7H3108.9°109.5°
C5C6C7110.0°109.2°
C5C6H13109.3°109.5°
C5C6H14109.3°109.6°
C6C5H15108.8°109.4°
C6C5H16108.7°109.5°
C6C7C8109.6°109.6°
C6C7H3109.3°109.6°
C7C6H13109.3°109.5°
C7C6H14109.3°109.6°
C7C8N2177.9°180.0°
C8C7H3110.2°109.6°
H5C13H6109.5°109.4°
H5C13H7109.5°109.4°
H6C13H7109.4°109.5°
H11NH12120.0°119.9°
H13C6H14109.5°109.5°
H15C5H16109.5°109.5°
H17C4H18109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC14C15C12179.1°180.0°
CLC14C15C16179.6°179.8°
CLC14C12O25.1°0.0°
CLC14C12C11178.4°179.9°
CLC14C15H80.5°0.0°
C14C15C16H8180.0°179.8°
C14C15C16C100.0°0.5°
C15C14C12O2174.0°179.9°
C15C14C12C112.5°0.0°
C14C15C16H9179.9°179.9°
C16C15C14C121.4°0.2°
C15C16C10H9180.0°179.6°
C15C16C10C110.1°0.4°
C15C16C10N4178.2°179.8°
C14C12O2C11176.3°179.9°
C14C12O2C13178.4°180.0°
C14C12C11C102.4°0.1°
C14C12C11H4177.6°180.0°
C12C14C15H8178.6°180.0°
C16C10C11C121.1°0.2°
C16C10C11N4178.2°179.8°
C16C10N4C9175.6°25.5°
C16C10C11H4178.9°179.8°
C10C16C15H8179.9°179.8°
C16C10N4H104.3°154.5°
O2C12C11C10173.8°180.0°
O2C12C11H46.2°0.1°
C12O2C13H5180.0°60.0°
C12O2C13H660.0°180.0°
C12O2C13H760.0°60.0°
C11C12O2C135.3°0.0°
C12C11C10H4180.0°180.0°
C12C11C10N4179.4°180.0°
O2C13H5H6120.0°120.0°
O2C13H5H7120.0°120.0°
O2C13H6H7120.0°120.0°
C11C10N4C92.6°154.6°
C11C10C16H9179.9°180.0°
C11C10N4H10177.4°25.3°
C10N4C9H10180.0°180.0°
C10N4C9N30.8°5.6°
C10N4C9C177.2°174.3°
N4C10C11H40.6°0.0°
N4C10C16H91.8°0.2°
N4C9N3C178.1°179.9°
N4C9N3N1177.1°180.0°
N4C9CC11.5°0.0°
N4C9CC2177.6°179.9°
OC1CC94.8°0.4°
OC1CN179.0°179.6°
OC1CC2174.1°179.8°
OC1NH110.0°179.7°
OC1NH12180.0°0.3°
N3C9CC1179.8°179.9°
N3C9CC20.7°0.2°
C9N3N1C21.0°0.1°
C9N3N1C3176.9°180.0°
N3C9N4H10179.3°174.4°
CC9N3N11.0°0.1°
C9CC1C2178.9°179.9°
C9CC1N174.2°180.0°
C9CC2N10.0°0.3°
C9CC2H1180.0°180.0°
CC9N4H102.8°5.7°
O1C4C3H17120.6°120.0°
O1C4C3H18120.6°120.0°
O1C4C3N1177.6°177.5°
O1C4C3C753.9°57.6°
C4O1C5C659.4°61.2°
O1C4C3H263.2°62.2°
C4O1C5H15179.8°58.8°
C4O1C5H1661.1°178.9°
O1C4H17H18118.1°120.0°
C4C3N1N353.3°145.3°
C3C4O1C557.4°61.2°
C4C3N1C2124.3°34.9°
C4C3N1C7122.2°119.7°
C4C3N1H2118.8°120.2°
C4C3C7H2117.4°119.8°
C4C3C7C651.9°57.0°
C4C3C7C8172.0°176.8°
C4C3C7H367.4°62.9°
C3C4H17H18118.1°120.0°
N3N1C2C0.6°0.3°
N3N1C2C3177.7°179.8°
N3N1C3C768.9°95.0°
N3N1C2H1179.4°180.0°
N3N1C3H2172.1°25.2°
O1C5C6H15120.4°120.0°
O1C5C6H16120.5°120.0°
O1C5C6C759.0°57.6°
O1C5C6H1361.1°177.5°
O1C5C6H14179.1°62.4°
O1C5H15H16118.7°120.1°
C5O1C4H1763.2°178.8°
C5O1C4H18178.0°58.8°
C1CC2N1179.1°179.8°
C1CC2H10.9°0.1°
CC1NH11179.0°0.1°
CC1NH121.0°180.0°
NC1CC26.9°0.1°
C1NH11H12180.0°180.0°
CC2N1H1180.0°179.7°
CC2N1C3177.1°179.9°
C2N1C3C7113.5°84.8°
C2N1C3H25.5°155.0°
N1C3C7H2119.7°120.2°
N1C3C7C6174.8°176.9°
N1C3C7C865.1°63.2°
C3N1C2H13.0°0.2°
N1C3C7H355.5°57.0°
N1C3C4H1757.0°62.5°
N1C3C4H1861.8°57.5°
C3C7C6C554.7°57.0°
C3C7C6C8120.1°119.8°
C3C7C6H3119.1°119.9°
C3C7C8H3119.8°120.2°
C3C7C8N2169.0°176.6°
C3C7C6H1365.4°176.9°
C3C7C6H14174.7°63.0°
C7C3C4H1766.8°177.6°
C7C3C4H18174.5°62.4°
C5C6C7H13120.1°119.9°
C5C6C7H14120.1°120.0°
C5C6C7C8174.7°176.8°
C5C6C7H364.4°62.9°
C5C6H13H14119.7°120.1°
C6C5H15H16118.7°120.0°
C6C7C8H3120.3°120.3°
C6C7C8N249.1°63.9°
C6C7C3H265.5°62.9°
C7C6H13H14119.7°120.2°
C7C6C5H15179.4°62.4°
C7C6C5H1661.5°177.7°
C8C7C3H254.6°57.0°
C8C7C6H1354.7°63.3°
C8C7C6H1465.2°56.8°
N2C8C7H371.2°56.4°
H2C3C7H3175.2°177.2°
H2C3C4H17176.1°57.7°
H2C3C4H1857.4°177.7°
H3C7C6H13175.5°57.0°
H3C7C6H1455.6°177.2°
H5C13H6H7120.0°119.9°
H8C15C16H90.1°0.2°
H13C6C5H1559.3°57.6°
H13C6C5H16178.4°62.4°
H14C6C5H1560.5°177.6°
H14C6C5H1658.6°57.7°

221051

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