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0TM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N4C13trip1.14Å1.16Å
C13C12sing1.43Å1.47Å
C11C12doub1.36Å1.35ÅAromatic
C11N3sing1.36Å1.34ÅAromatic
C12C9sing1.47Å1.35ÅAromatic
O2C17sing1.43Å1.47Å
O2C6sing1.36Å1.40Å
C14O1sing1.43Å1.48Å
O1C5sing1.36Å1.38Å
C6C5doub1.39Å1.37ÅAromatic
C6C1sing1.39Å1.42ÅAromatic
C5C4sing1.38Å1.44ÅAromatic
C1C2doub1.38Å1.41ÅAromatic
N3C10sing1.37Å1.35ÅAromatic
C4C3doub1.40Å1.42ÅAromatic
C9C10doub1.41Å1.42ÅAromatic
C9C7sing1.40Å1.43ÅAromatic
C2C3sing1.40Å1.42ÅAromatic
C2CLsing1.74Å1.72Å
C3C7sing1.48Å1.43Å
C10N2sing1.33Å1.31ÅAromatic
C7N1doub1.33Å1.37ÅAromatic
N2C8doub1.32Å1.38ÅAromatic
N1C8sing1.33Å1.35ÅAromatic
C8Ssing1.76Å1.72Å
O3C16doub1.21Å1.23Å
C19N5sing1.47Å1.47Å
C16N5sing1.35Å1.36Å
C16C15sing1.51Å1.54Å
N5C18sing1.47Å1.48Å
SC15sing1.81Å1.83Å
C14H1sing1.09Å1.10Å
C14H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C4H4sing1.08Å1.08Å
C17H5sing1.09Å1.10Å
C17H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C1H8sing1.08Å1.08Å
C11H9sing1.08Å1.08Å
N3H10sing0.97Å1.00Å
C15H11sing1.09Å1.10Å
C15H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N4C13C12179.2°180.0°
C13C12C11125.6°126.9°
C13C12C9126.5°126.8°
C12C11N3113.2°109.7°
C11C12C9107.8°106.3°
C12C11H9123.4°125.1°
C11N3C10103.2°110.5°
N3C11H9123.4°125.2°
C11N3H10128.4°124.8°
C12C9C10104.1°106.1°
C12C9C7137.3°135.0°
C17O2C6114.3°117.0°
O2C17H5109.5°109.5°
O2C17H6109.4°109.4°
O2C17H7109.5°109.5°
O2C6C5115.0°120.0°
O2C6C1123.9°119.9°
C14O1C5119.2°117.0°
O1C14H1109.5°109.5°
O1C14H2109.5°109.5°
O1C14H3109.4°109.5°
O1C5C6118.5°119.9°
O1C5C4122.1°120.0°
C5C6C1121.0°120.1°
C6C5C4119.2°120.0°
C6C1C2121.0°120.2°
C6C1H8119.5°119.8°
C5C4C3119.7°119.9°
C5C4H4120.1°120.1°
C1C2C3118.1°120.0°
C1C2CL118.6°120.0°
C2C1H8119.5°120.0°
N3C10C9111.5°107.4°
N3C10N2128.7°134.0°
C10N3H10128.4°124.7°
C4C3C2120.3°119.9°
C4C3C7119.2°120.1°
C3C4H4120.2°120.0°
C10C9C7118.5°118.9°
C9C10N2119.6°118.6°
C9C7C3126.4°120.8°
C9C7N1118.3°118.4°
C3C2CL123.1°120.0°
C2C3C7120.2°120.1°
C3C7N1115.3°120.8°
C10N2C8122.2°120.8°
C7N1C8121.5°120.9°
N2C8N1119.6°122.5°
N2C8S112.8°118.7°
N1C8S127.5°118.8°
C8SC15103.5°100.0°
O3C16N5123.4°120.0°
O3C16C15119.3°120.0°
C19N5C16119.1°120.0°
C19N5C18118.8°120.0°
N5C19H16109.5°109.5°
N5C19H17109.4°109.5°
N5C19H18109.5°109.5°
N5C16C15117.3°120.0°
C16N5C18122.1°120.0°
C16C15S114.7°109.4°
C16C15H11108.1°109.5°
C16C15H12108.1°109.5°
N5C18H13109.5°109.4°
N5C18H14109.5°109.5°
N5C18H15109.4°109.5°
SC15H11108.1°109.4°
SC15H12108.2°109.5°
H1C14H2109.5°109.4°
H1C14H3109.5°109.5°
H2C14H3109.5°109.4°
H5C17H6109.5°109.5°
H5C17H7109.5°109.5°
H6C17H7109.5°109.5°
H11C15H12109.5°109.5°
H13C18H14109.4°109.5°
H13C18H15109.5°109.5°
H14C18H15109.5°109.5°
H16C19H17109.5°109.5°
H16C19H18109.5°109.5°
H17C19H18109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N4C13C12C1194.8°50.8°
N4C13C12C988.5°129.2°
C13C12C11C9177.2°180.0°
C13C12C11N3179.1°180.0°
C13C12C9C10179.9°180.0°
C13C12C9C74.0°0.0°
C13C12C11H90.9°0.0°
C12C11N3H9180.0°180.0°
C12C11N3C102.6°0.0°
C11C12C9C103.0°0.0°
C11C12C9C7178.8°180.0°
C12C11N3H10177.3°179.9°
N3C11C12C93.7°0.0°
C11N3C10H10180.0°179.9°
C11N3C10C90.6°0.0°
C11N3C10N2176.5°180.0°
C12C9C10N31.5°0.0°
C12C9C10C7176.8°180.0°
C12C9C7C32.5°0.0°
C12C9C10N2174.8°180.0°
C12C9C7N1175.5°179.7°
C9C12C11H9176.3°180.0°
C17O2C6C5158.0°180.0°
C17O2C6C125.3°0.0°
O2C17H5H6120.0°119.9°
O2C17H5H7120.0°120.0°
O2C17H6H7120.0°120.0°
O2C6C5O12.2°0.1°
O2C6C5C1176.8°179.9°
O2C6C5C4177.1°179.8°
O2C6C1C2177.3°180.0°
C6O2C17H5180.0°60.0°
C6O2C17H660.0°60.0°
C6O2C17H760.0°180.0°
O2C6C1H82.7°0.1°
C14O1C5C6170.4°179.7°
C14O1C5C414.9°0.0°
O1C14H1H2120.0°120.0°
O1C14H1H3120.0°120.1°
O1C14H2H3120.0°120.0°
O1C5C6C4174.9°179.7°
O1C5C6C1179.1°180.0°
O1C5C4C3179.4°179.9°
C5O1C14H1180.0°180.0°
C5O1C14H260.0°60.1°
C5O1C14H360.0°59.9°
O1C5C4H40.6°0.0°
C5C6C1C26.2°0.1°
C6C5C4C36.0°0.2°
C6C5C4H4174.0°179.7°
C5C6C1H8173.8°180.0°
C1C6C5C46.1°0.3°
C6C1C2H8180.0°179.9°
C6C1C2C35.9°0.2°
C6C1C2CL179.5°180.0°
C5C4C3H4180.0°179.9°
C5C4C3C25.9°0.0°
C5C4C3C7179.7°180.0°
C1C2C3C45.8°0.2°
C1C2C3CL174.4°179.8°
C1C2C3C7179.8°179.7°
N3C10C9N2176.2°179.9°
N3C10C9C7178.3°180.0°
N3C10N2C8178.7°179.7°
C10N3C11H9177.3°180.0°
C4C3C7C9116.4°55.8°
C4C3C2C7174.4°180.0°
C4C3C2CL179.9°180.0°
C4C3C7N161.6°124.6°
C10C9C7C3177.9°180.0°
C10C9C7N10.1°0.3°
C9C10N2C85.8°0.3°
C9C10N3H10179.3°179.9°
C9C7C3C269.1°124.3°
C9C7C3N1178.1°179.7°
C7C9C10N22.0°0.0°
C9C7N1C81.5°0.3°
C2C3C7N1112.8°55.4°
C2C3C4H4174.1°180.0°
C3C2C1H8174.1°179.7°
CLC2C3C75.5°0.0°
CLC2C1H80.5°0.0°
C3C7N1C8179.7°180.0°
C7C3C4H40.3°0.0°
C10N2C8N17.3°0.4°
C10N2C8S177.2°179.7°
N2C10N3H103.5°0.1°
C7N1C8N25.0°0.0°
C7N1C8S179.8°180.0°
N2C8N1S174.8°179.9°
N2C8SC15163.9°0.0°
N1C8SC1511.2°179.9°
C8SC15C1665.6°179.9°
C8SC15H11173.7°60.0°
C8SC15H1255.2°60.0°
O3C16N5C190.9°180.0°
O3C16N5C15179.5°179.9°
O3C16N5C18178.5°0.0°
O3C16C15S12.1°0.1°
O3C16C15H11108.6°120.0°
O3C16C15H12132.9°120.0°
C19N5C16C18179.4°180.0°
C19N5C16C15179.5°0.1°
C19N5C18H13180.0°90.0°
C19N5C18H1460.0°30.0°
C19N5C18H1560.0°150.0°
N5C19H16H17120.0°120.0°
N5C19H16H18120.0°120.0°
N5C19H17H18120.0°120.0°
N5C16C15S168.3°180.0°
N5C16C15H1170.9°60.1°
N5C16C15H1247.5°59.9°
C16N5C18H130.6°90.0°
C16N5C18H14119.4°150.0°
C16N5C18H15120.6°30.0°
C16N5C19H16180.0°60.0°
C16N5C19H1760.0°180.0°
C16N5C19H1860.0°60.0°
C15C16N5C181.0°179.9°
C16C15SH11120.7°119.9°
C16C15SH12120.8°120.1°
C16C15H11H12117.6°120.1°
N5C18H13H14120.0°120.0°
N5C18H13H15120.0°120.0°
N5C18H14H15120.0°120.0°
C18N5C19H160.6°120.0°
C18N5C19H17119.4°0.0°
C18N5C19H18120.6°120.0°
SC15H11H12117.6°120.0°
H1C14H2H3120.0°120.0°
H5C17H6H7120.0°120.0°
H9C11N3H102.7°0.1°
H13C18H14H15120.0°120.0°
H16C19H17H18120.0°120.0°

217705

PDB entries from 2024-03-27

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