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TZ2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C41C40sing1.53Å1.52Å
C41C42sing1.53Å1.52Å
C40C39sing1.51Å1.52Å
C42C38sing1.53Å1.51Å
C28N18sing1.46Å1.45Å
C28C29sing1.53Å1.52Å
N7C29sing1.47Å1.45Å
N7C30sing1.39Å1.35Å
C39C30doub1.39Å1.51ÅAromatic
C39C37sing1.38Å1.51ÅAromatic
N18N19doub1.12Å1.24Å
N19N20doub1.12Å1.32Å
C38C37sing1.51Å1.52Å
C30C31sing1.41Å1.48ÅAromatic
C37N8doub1.32Å1.35ÅAromatic
C31C32doub1.40Å1.40ÅAromatic
C31C33sing1.42Å1.49ÅAromatic
N8C33sing1.33Å1.36ÅAromatic
C32C36sing1.36Å1.40ÅAromatic
C33C34doub1.41Å1.41ÅAromatic
C36C35doub1.39Å1.40ÅAromatic
C34C35sing1.36Å1.40ÅAromatic
C28H3sing1.09Å1.10Å
C28H4sing1.09Å1.10Å
C29H5sing1.09Å1.10Å
C29H6sing1.09Å1.10Å
N7H7sing1.01Å1.00Å
C40H8sing1.09Å1.10Å
C40H9sing1.09Å1.10Å
C41H10sing1.09Å1.10Å
C41H11sing1.09Å1.10Å
C42H12sing1.09Å1.10Å
C42H13sing1.09Å1.10Å
C38H14sing1.09Å1.10Å
C38H15sing1.09Å1.10Å
C34H16sing1.08Å1.08Å
C35H17sing1.08Å1.08Å
C36H18sing1.08Å1.08Å
C32H19sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C40C41C42115.1°108.3°
C41C40C39110.5°110.6°
C41C40H8109.2°109.2°
C41C40H9109.2°109.2°
C40C41H10108.0°109.7°
C40C41H11108.1°109.7°
C41C42C38110.0°108.4°
C42C41H10108.1°109.7°
C42C41H11108.0°109.7°
C41C42H12109.3°109.6°
C41C42H13109.4°109.6°
C40C39C30121.8°117.5°
C40C39C37120.0°122.8°
C39C40H8109.2°109.2°
C39C40H9109.2°109.3°
C42C38C37110.9°110.7°
C38C42H12109.4°109.7°
C38C42H13109.4°109.7°
C42C38H14109.1°109.2°
C42C38H15109.1°109.3°
N18C28C29106.0°109.5°
C28N18N19116.0°120.1°
N18C28H3110.3°109.5°
N18C28H4110.3°109.5°
C28C29N7109.2°109.5°
C29C28H3110.3°109.4°
C29C28H4110.3°109.5°
C28C29H5109.5°109.4°
C28C29H6109.5°109.5°
C29N7C30118.3°111.0°
N7C29H5109.6°109.4°
N7C29H6109.5°109.5°
C29N7H7107.3°111.0°
N7C30C39123.9°120.8°
N7C30C31118.3°120.8°
C30N7H7107.2°111.0°
C30C39C37118.1°119.7°
C39C30C31117.6°118.5°
C39C37C38122.5°122.1°
C39C37N8120.4°120.9°
N18N19N20122.7°179.9°
C38C37N8117.0°117.0°
C37C38H14109.1°109.3°
C37C38H15109.1°109.3°
C30C31C32122.1°121.7°
C30C31C33118.3°118.6°
C37N8C33124.6°122.6°
C32C31C33119.6°119.8°
C31C32C36119.3°119.6°
C31C32H19120.3°120.2°
C31C33N8121.1°119.7°
C31C33C34118.4°119.0°
N8C33C34120.5°121.3°
C32C36C35121.8°120.8°
C32C36H18119.1°119.6°
C36C32H19120.4°120.2°
C33C34C35120.0°119.8°
C33C34H16120.0°120.0°
C36C35C34120.8°121.1°
C36C35H17119.6°119.5°
C35C36H18119.1°119.6°
C35C34H16120.0°120.2°
C34C35H17119.6°119.4°
H3C28H4109.5°109.4°
H5C29H6109.5°109.4°
H8C40H9109.5°109.3°
H10C41H11109.5°109.7°
H12C42H13109.5°109.8°
H14C38H15109.5°109.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C40C41C42H10120.8°119.7°
C40C41C42H11120.8°119.7°
C41C40C39H8120.1°120.2°
C41C40C39H9120.1°120.3°
C40C41C42C3865.8°70.1°
C41C40C39C30168.9°162.7°
C41C40C39C3716.6°17.6°
C41C40H8H9119.5°119.4°
C40C41H10H11117.5°120.6°
C40C41C42H12174.2°49.6°
C40C41C42H1354.3°170.2°
C42C41C40C3946.4°51.0°
C41C42C38H12120.0°119.7°
C41C42C38H13120.1°119.7°
C41C42C38C3749.7°51.6°
C42C41C40H873.7°69.3°
C42C41C40H9166.6°171.3°
C42C41H10H11117.4°120.6°
C41C42H12H13119.8°120.5°
C41C42C38H1470.5°171.9°
C41C42C38H15169.9°68.7°
C40C39C30N79.1°0.5°
C40C39C30C37174.6°179.7°
C40C39C37C386.4°0.8°
C40C39C30C31176.7°179.7°
C40C39C37N8175.9°179.3°
C39C40H8H9119.5°119.5°
C39C40C41H1074.4°170.6°
C39C40C41H11167.2°68.8°
C42C38C37C3923.0°18.1°
C42C38C37H14120.2°120.3°
C42C38C37H15120.2°120.3°
C42C38C37N8159.2°162.0°
C38C42C41H1055.1°170.2°
C38C42C41H11173.4°49.6°
C38C42H12H13119.8°120.6°
C42C38H14H15119.3°119.4°
N18C28C29H3119.4°120.1°
N18C28C29H4119.4°120.0°
N18C28C29N7100.2°179.9°
C28N18N19N20178.5°7.4°
N18C28H3H4121.6°120.0°
N18C28C29H5139.8°60.0°
N18C28C29H619.8°60.0°
C28C29N7H5119.9°120.0°
C28C29N7H6120.0°120.1°
C28C29N7C3087.8°174.7°
C29C28N18N19127.3°120.0°
C29C28H3H4121.6°120.0°
C28C29H5H6120.1°120.0°
C28C29N7H733.4°61.3°
C29N7C30H7121.3°124.0°
C29N7C30C3991.8°95.9°
C29N7C30C3182.4°83.8°
N7C29C28H319.2°60.0°
N7C29C28H4140.4°59.9°
N7C29H5H6120.1°120.0°
N7C30C39C31174.2°179.7°
N7C30C39C37176.3°179.8°
N7C30C31C326.1°0.1°
N7C30C31C33176.0°179.8°
C30N7C29H5152.2°54.8°
C30N7C29H632.1°65.2°
C30C39C37C38178.9°179.6°
C30C39C37N81.2°0.4°
C39C30C31C32179.3°179.8°
C39C30C31C331.5°0.5°
C39C30N7H729.5°140.1°
C30C39C40H871.0°77.1°
C30C39C40H948.7°42.4°
C39C37C38N8177.8°179.9°
C37C39C30C312.1°0.0°
C39C37N8C330.5°0.3°
C37C39C40H8103.5°102.6°
C37C39C40H9136.8°137.9°
C39C37C38H1497.2°138.4°
C39C37C38H15143.2°102.2°
N19N18C28H3113.2°120.0°
N19N18C28H47.9°0.1°
C38C37N8C33177.4°179.7°
C37C38C42H12169.7°68.1°
C37C38C42H1370.4°171.3°
C37C38H14H15119.4°119.4°
C30C31C32C33177.8°179.7°
C30C31C33N80.2°0.6°
C30C31C32C36177.0°179.1°
C30C31C33C34178.9°179.7°
C31C30N7H7156.4°40.2°
C30C31C32H193.0°0.1°
C37N8C33C311.2°0.2°
C37N8C33C34179.9°180.0°
N8C37C38H1480.6°41.7°
N8C37C38H1539.0°77.7°
C32C31C33N8177.8°179.7°
C31C32C36H19180.0°179.2°
C32C31C33C341.0°0.0°
C31C32C36C351.5°0.8°
C31C32C36H18178.4°179.7°
C31C33N8C34178.7°179.7°
C33C31C32C360.9°0.6°
C31C33C34C352.2°0.2°
C31C33C34H16177.7°179.7°
C33C31C32H19179.1°179.7°
N8C33C34C35176.5°180.0°
N8C33C34H163.5°0.0°
C32C36C35H18180.0°179.5°
C32C36C35C340.3°0.6°
C32C36C35H17179.8°179.4°
C33C34C35C361.7°0.0°
C33C34C35H16180.0°179.9°
C33C34C35H17178.3°180.0°
C36C35C34H17180.0°180.0°
C36C35C34H16178.3°180.0°
C35C36C32H19178.5°180.0°
C34C35C36H18179.7°180.0°
H3C28C29H5100.7°180.0°
H3C28C29H6139.2°60.1°
H4C28C29H520.4°60.0°
H4C28C29H699.7°180.0°
H5C29N7H786.5°178.7°
H6C29N7H7153.4°58.8°
H8C40C41H10165.5°50.4°
H8C40C41H1147.1°171.0°
H9C40C41H1045.8°69.1°
H9C40C41H1172.6°51.6°
H10C41C42H1265.0°70.1°
H10C41C42H13175.2°50.5°
H11C41C42H1253.4°169.3°
H11C41C42H1366.5°70.1°
H12C42C38H1449.5°52.2°
H12C42C38H1570.1°171.6°
H13C42C38H14169.4°68.4°
H13C42C38H1549.8°51.0°
H16C34C35H171.7°0.0°
H17C35C36H180.3°0.0°
H18C36C32H191.6°0.5°

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PDB entries from 2024-06-12

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