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PWT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O6C26doub1.22Å1.31Å
O5C26sing1.35Å1.22Å
C26C25sing1.48Å1.51Å
O4C18doub1.21Å1.23Å
C24C25doub1.40Å1.39ÅAromatic
C24C23sing1.38Å1.38ÅAromatic
C25C20sing1.40Å1.41ÅAromatic
C18N7sing1.35Å1.34Å
C18C17sing1.51Å1.50Å
N8N7sing1.37Å1.38Å
N8C19sing1.47Å1.27Å
C23C22doub1.38Å1.38ÅAromatic
C20C19sing1.51Å1.46Å
C20C21doub1.38Å1.40ÅAromatic
C17C16sing1.53Å1.51Å
C22C21sing1.38Å1.38ÅAromatic
C16C15sing1.53Å1.51Å
C15C14sing1.51Å1.51Å
C14O3doub1.21Å1.23Å
C14H1sing1.08Å1.08Å
C15H2sing1.09Å1.10Å
C15H3sing1.09Å1.10Å
C16H4sing1.09Å1.10Å
C16H5sing1.09Å1.10Å
C17H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C19H8sing1.09Å1.10Å
C19H9sing1.09Å1.10Å
C21H10sing1.08Å1.08Å
C22H11sing1.08Å1.08Å
O5H12sing0.97Å0.95Å
C23H13sing1.08Å1.08Å
C24H14sing1.08Å1.08Å
N7H15sing0.97Å1.00Å
N8H16sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O6C26O5123.0°120.0°
O6C26C25116.3°120.0°
O5C26C25120.6°120.0°
C26O5H12109.5°117.0°
C26C25C24114.0°120.2°
C26C25C20127.2°120.1°
O4C18N7120.8°120.0°
O4C18C17124.0°120.0°
C25C24C23121.5°119.9°
C24C25C20118.8°119.7°
C25C24H14119.2°120.1°
C24C23C22119.9°120.2°
C24C23H13120.1°119.9°
C23C24H14119.3°120.1°
C25C20C19124.5°120.1°
C25C20C21118.6°119.9°
N7C18C17115.2°120.0°
C18N7N8121.9°120.0°
C18N7H15119.1°120.0°
C18C17C16109.8°109.5°
C18C17H6109.4°109.5°
C18C17H7109.4°109.5°
N7N8C19114.6°111.0°
N8N7H15119.0°120.0°
N7N8H16108.2°111.0°
N8C19C20122.0°109.5°
N8C19H8106.3°109.5°
N8C19H9106.3°109.5°
C19N8H16108.2°111.0°
C23C22C21119.7°120.3°
C23C22H11120.2°119.8°
C22C23H13120.1°119.9°
C19C20C21116.8°120.1°
C20C19H8106.2°109.5°
C20C19H9106.2°109.5°
C20C21C22121.5°120.1°
C20C21H10119.3°119.9°
C17C16C15113.5°109.5°
C17C16H4108.4°109.5°
C17C16H5108.5°109.4°
C16C17H6109.4°109.5°
C16C17H7109.4°109.4°
C22C21H10119.2°119.9°
C21C22H11120.2°119.9°
C16C15C14111.1°109.5°
C16C15H2109.1°109.5°
C16C15H3109.0°109.4°
C15C16H4108.5°109.5°
C15C16H5108.5°109.5°
C15C14O3121.9°120.0°
C15C14H1119.0°119.9°
C14C15H2109.1°109.5°
C14C15H3109.1°109.5°
O3C14H1119.0°120.1°
H2C15H3109.5°109.5°
H4C16H5109.5°109.5°
H6C17H7109.5°109.5°
H8C19H9109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O6C26O5C25176.1°180.0°
O6C26C25C24133.8°180.0°
O6C26C25C2048.4°0.5°
O6C26O5H120.0°0.0°
O5C26C25C2442.5°0.0°
O5C26C25C20135.3°179.5°
C26C25C24C20178.0°179.5°
C26C25C24C23179.8°180.0°
C26C25C20C191.9°0.3°
C26C25C20C21179.6°179.9°
C25C26O5H12176.0°180.0°
C26C25C24H140.3°0.5°
O4C18N7C17177.9°180.0°
O4C18N7N88.4°0.0°
O4C18C17C16131.6°0.0°
O4C18C17H611.6°120.0°
O4C18C17H7108.4°119.9°
O4C18N7H15171.6°179.9°
C25C24C23H14180.0°179.5°
C25C24C23C220.9°0.2°
C24C25C20C19179.7°179.8°
C24C25C20C211.9°0.6°
C25C24C23H13179.1°179.8°
C23C24C25C201.7°0.5°
C24C23C22H13180.0°180.0°
C24C23C22C210.2°0.0°
C24C23C22H11179.8°180.0°
C25C20C19N815.0°79.7°
C25C20C19C21178.5°179.7°
C25C20C21C221.3°0.3°
C25C20C19H8136.7°160.3°
C25C20C19H9106.8°40.3°
C25C20C21H10178.7°179.8°
C20C25C24H14178.3°180.0°
C18N7N8H15180.0°180.0°
C18N7N8C19175.7°180.0°
N7C18C17C1646.2°180.0°
N7C18C17H6166.3°60.0°
N7C18C17H773.8°60.0°
C18N7N8H1663.6°56.1°
C17C18N7N8169.5°180.0°
C18C17C16H6120.0°120.1°
C18C17C16H7120.0°120.0°
C18C17C16C15174.7°180.0°
C18C17C16H454.1°59.9°
C18C17C16H564.7°60.0°
C18C17H6H7119.8°120.0°
C17C18N7H1510.5°0.0°
N7N8C19H16120.7°123.9°
N7N8C19C20175.5°180.0°
N7N8C19H862.8°60.0°
N7N8C19H953.7°60.0°
N8C19C20H8121.7°120.0°
N8C19C20H9121.7°120.0°
N8C19C20C21166.6°100.0°
N8C19H8H9114.4°120.0°
C19N8N7H154.3°0.0°
C23C22C21C200.4°0.0°
C23C22C21H11180.0°179.9°
C23C22C21H10179.6°179.9°
C22C23C24H14179.1°179.7°
C19C20C21C22179.8°180.0°
C20C19H8H9114.3°120.0°
C19C20C21H100.2°0.1°
C20C19N8H1654.7°56.1°
C20C21C22H10180.0°179.9°
C21C20C19H844.8°20.1°
C21C20C19H971.7°140.0°
C20C21C22H11179.6°179.9°
C17C16C15H4120.6°120.0°
C17C16C15H5120.6°120.0°
C17C16C15C14178.4°180.0°
C17C16C15H261.4°59.9°
C17C16C15H358.2°60.0°
C17C16H4H5118.2°119.9°
C16C17H6H7119.9°119.9°
C21C22C23H13179.7°180.0°
C16C15C14H2120.2°120.0°
C16C15C14H3120.2°120.0°
C16C15C14O3122.7°125.0°
C16C15C14H157.3°55.3°
C16C15H2H3119.3°119.9°
C15C16H4H5118.2°120.0°
C15C16C17H665.3°59.9°
C15C16C17H754.7°60.0°
C15C14O3H1180.0°179.7°
C14C15H2H3119.3°120.0°
C14C15C16H457.8°60.0°
C14C15C16H561.0°60.0°
O3C14C15H2117.1°115.0°
O3C14C15H32.5°5.1°
H1C14C15H263.0°64.7°
H1C14C15H3177.5°175.2°
H2C15C16H4178.1°180.0°
H2C15C16H559.2°60.0°
H3C15C16H462.4°60.0°
H3C15C16H5178.8°180.0°
H4C16C17H6174.1°180.0°
H4C16C17H765.9°60.1°
H5C16C17H655.3°60.1°
H5C16C17H7175.3°180.0°
H8C19N8H16176.4°63.9°
H9C19N8H1667.0°176.1°
H10C21C22H110.4°0.0°
H11C22C23H130.2°0.0°
H13C23C24H140.9°0.3°
H15N7N8H16116.4°123.9°

223790

PDB entries from 2024-08-14

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