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95S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O15S1doub1.42Å1.43Å
N4S1sing1.66Å1.65Å
N4C7sing1.35Å1.39Å
N9C7sing1.35Å1.40Å
N9C3sing1.39Å1.40Å
S1O16doub1.42Å1.43Å
S1C2sing1.76Å1.66Å
N11C3doub1.30Å1.31ÅAromatic
N11C14sing1.32Å1.38ÅAromatic
C7O17doub1.22Å1.23Å
C3S5sing1.71Å1.73ÅAromatic
S6C2sing1.76Å1.71ÅAromatic
S6C10sing1.76Å1.74ÅAromatic
C14C13doub1.33Å1.34ÅAromatic
C23O21sing1.43Å1.42Å
C2C8doub1.33Å1.40ÅAromatic
C22O21sing1.43Å1.41Å
C22C18sing1.53Å1.49Å
C13S5sing1.76Å1.72ÅAromatic
C13BR19sing1.89Å1.88Å
C10C18sing1.51Å1.50Å
C10C12doub1.33Å1.40ÅAromatic
C8C12sing1.38Å1.43ÅAromatic
C12C20sing1.51Å1.49Å
C8H1sing1.08Å1.08Å
C14H2sing1.08Å1.08Å
C18H3sing1.09Å1.10Å
C18H4sing1.09Å1.10Å
C20H5sing1.09Å1.10Å
C20H6sing1.09Å1.10Å
C20H7sing1.09Å1.10Å
C22H8sing1.09Å1.10Å
C22H9sing1.09Å1.10Å
C23H10sing1.09Å1.10Å
C23H11sing1.09Å1.10Å
C23H12sing1.09Å1.10Å
N4H13sing0.97Å1.00Å
N9H14sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O15S1N4106.1°106.4°
O15S1O16119.4°123.1°
O15S1C2105.9°106.4°
S1N4C7122.8°120.0°
N4S1O16105.1°106.4°
N4S1C2112.2°107.3°
S1N4H13118.6°120.0°
N4C7N9116.7°120.0°
N4C7O17121.1°120.0°
C7N4H13118.6°120.0°
C7N9C3123.7°120.0°
N9C7O17122.2°120.0°
C7N9H14118.2°120.0°
N9C3N11121.0°125.0°
N9C3S5123.3°124.9°
C3N9H14118.2°120.0°
O16S1C2108.2°106.4°
S1C2S6121.0°125.2°
S1C2C8126.2°125.2°
C3N11C14109.8°117.0°
N11C3S5115.7°110.1°
N11C14C13115.1°114.5°
N11C14H2122.4°122.7°
C3S5C1387.6°90.4°
C2S6C1091.5°90.9°
S6C2C8112.8°109.6°
S6C10C18122.2°125.2°
S6C10C12111.8°109.6°
C14C13S5111.8°108.0°
C14C13BR19128.0°126.0°
C13C14H2122.4°122.7°
C23O21C22111.8°114.0°
O21C23H10109.5°109.4°
O21C23H11109.4°109.4°
O21C23H12109.5°109.5°
C2C8C12112.0°114.9°
C2C8H1124.0°122.5°
O21C22C18108.2°109.4°
O21C22H8109.8°109.4°
O21C22H9109.8°109.5°
C22C18C10113.2°109.5°
C22C18H3108.5°109.5°
C22C18H4108.5°109.5°
C18C22H8109.8°109.5°
C18C22H9109.8°109.5°
S5C13BR19120.2°126.0°
C18C10C12125.9°125.2°
C10C18H3108.5°109.5°
C10C18H4108.5°109.4°
C10C12C8112.0°115.0°
C10C12C20123.3°122.5°
C8C12C20124.7°122.5°
C12C8H1124.0°122.6°
C12C20H5109.5°109.4°
C12C20H6109.4°109.4°
C12C20H7109.5°109.5°
H3C18H4109.4°109.4°
H5C20H6109.4°109.5°
H5C20H7109.4°109.5°
H6C20H7109.5°109.5°
H8C22H9109.5°109.6°
H10C23H11109.5°109.5°
H10C23H12109.5°109.5°
H11C23H12109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O15S1N4O16127.4°132.9°
O15S1N4C2115.2°113.5°
O15S1N4C7167.1°48.6°
O15S1O16C2121.1°122.9°
O15S1C2S633.9°23.5°
O15S1C2C8145.6°156.5°
O15S1N4H1312.9°131.5°
S1N4C7H13180.0°179.9°
S1N4C7N9178.3°179.7°
N4S1O16C2120.1°114.2°
S1N4C7O172.6°0.1°
N4S1C2S681.4°90.0°
N4S1C2C899.1°90.0°
N4C7N9O17179.1°179.8°
N4C7N9C3179.9°179.7°
C7N4S1O1639.7°178.5°
C7N4S1C277.7°65.0°
N4C7N9H140.1°0.2°
C7N9C3H14180.0°180.0°
C7N9C3N11162.6°0.3°
C7N9C3S516.4°180.0°
N9C7N4H131.7°0.2°
N9C3N11S5179.0°179.7°
N9C3N11C14179.0°179.8°
C3N9C7O170.8°0.0°
N9C3S5C13179.1°179.8°
O16S1C2S6163.0°156.4°
O16S1C2C816.4°23.6°
O16S1N4H13140.3°1.4°
S1C2S6C8179.5°180.0°
S1C2S6C10179.6°179.8°
S1C2C8C12179.6°180.0°
S1C2C8H10.4°0.3°
C2S1N4H13102.3°115.0°
C3N11C14C130.3°0.0°
N11C3S5C130.1°0.0°
C3N11C14H2179.8°180.0°
N11C3N9H1417.4°179.7°
C14N11C3S50.1°0.0°
N11C14C13H2180.0°180.0°
N11C14C13S50.3°0.0°
N11C14C13BR19179.4°180.0°
O17C7N4H13177.4°180.0°
O17C7N9H14179.2°180.0°
C3S5C13C140.2°0.0°
C3S5C13BR19179.5°180.0°
S5C3N9H14163.6°0.0°
C2S6C10C18179.9°180.0°
C2S6C10C120.7°0.3°
S6C2C8C120.9°0.0°
S6C2C8H1179.1°179.7°
C10S6C2C80.9°0.2°
S6C10C18C2244.5°90.4°
S6C10C18C12179.3°179.6°
S6C10C12C80.3°0.4°
S6C10C12C20179.0°179.6°
S6C10C18H3165.0°29.6°
S6C10C18H476.1°149.5°
C14C13S5BR19179.8°180.0°
C23O21C22C18156.9°180.0°
C23O21C22H883.4°60.1°
C23O21C22H937.1°60.0°
O21C23H10H11120.0°119.9°
O21C23H10H12120.0°120.0°
O21C23H11H12120.0°120.0°
C2C8C12C100.3°0.3°
C2C8C12H1180.0°179.7°
C2C8C12C20179.6°179.7°
O21C22C18H8119.8°119.9°
O21C22C18H9119.8°120.0°
O21C22C18C1074.1°180.0°
O21C22C18H346.4°60.0°
O21C22C18H4165.3°60.0°
O21C22H8H9120.6°120.0°
C22O21C23H10180.0°180.0°
C22O21C23H1160.0°60.0°
C22O21C23H1260.0°60.0°
C22C18C10H3120.6°120.1°
C22C18C10H4120.6°120.0°
C22C18C10C12134.9°90.0°
C22C18H3H4118.3°120.0°
C18C22H8H9120.6°120.0°
S5C13C14H2179.7°180.0°
BR19C13C14H20.5°0.0°
C18C10C12C8179.7°179.9°
C18C10C12C200.4°0.1°
C10C18H3H4118.3°119.9°
C10C18C22H8166.1°60.0°
C10C18C22H945.7°60.1°
C10C12C8C20179.3°180.0°
C10C12C8H1179.7°180.0°
C12C10C18H314.3°150.0°
C12C10C18H4104.6°30.0°
C10C12C20H590.4°90.0°
C10C12C20H6149.6°30.0°
C10C12C20H729.6°150.0°
C8C12C20H590.4°90.0°
C8C12C20H629.6°150.0°
C8C12C20H7149.6°30.0°
C20C12C8H10.3°0.0°
C12C20H5H6120.0°119.9°
C12C20H5H7120.0°120.0°
C12C20H6H7120.0°120.0°
H3C18C22H873.4°179.9°
H3C18C22H9166.2°60.0°
H4C18C22H845.5°60.0°
H4C18C22H974.9°179.9°
H5C20H6H7120.0°120.1°
H10C23H11H12120.0°120.0°

217705

PDB entries from 2024-03-27

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