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A1AKS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
COdoub1.21Å1.22Å
O1Csing1.34Å1.31Å
C1Csing1.51Å1.53Å
NC1sing1.47Å1.45Å
C2Nsing1.38Å1.34Å
C2N1doub1.33Å1.35ÅAromatic
N1C3sing1.32Å1.34ÅAromatic
C3N2doub1.32Å1.34ÅAromatic
N2C4sing1.33Å1.34ÅAromatic
C4N3sing1.37Å1.37ÅAromatic
N3C5sing1.37Å1.37ÅAromatic
C5C6doub1.34Å1.36ÅAromatic
C6C7sing1.46Å1.42ÅAromatic
C7C2sing1.40Å1.42ÅAromatic
C4C7doub1.41Å1.40ÅAromatic
C8C1sing1.51Å1.52Å
C8C9doub1.38Å1.39ÅAromatic
C9C10sing1.38Å1.38ÅAromatic
C10C11doub1.39Å1.39ÅAromatic
C11C12sing1.39Å1.41ÅAromatic
C12C13doub1.39Å1.38ÅAromatic
C13C8sing1.38Å1.39ÅAromatic
O2C12sing1.36Å1.38Å
C14O2sing1.43Å1.45Å
C15C14sing1.53Å1.60Å
O3C15sing1.43Å1.44Å
C11O3sing1.36Å1.37Å
N3H1sing0.97Å1.00Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C10H8sing1.08Å1.08Å
C13H9sing1.08Å1.08Å
C15H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
O1H2sing0.97Å0.95Å
C1Hsing1.09Å1.10Å
NH3sing0.97Å1.00Å
C3H4sing1.08Å1.08Å
C14H10sing1.09Å1.10Å
C14H11sing1.09Å1.10Å
C9H7sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCO1123.8°120.0°
OCC1123.1°120.0°
O1CC1113.1°120.0°
CO1H2109.5°117.0°
CC1N109.1°109.5°
CC1C8111.0°109.4°
CC1H108.5°109.5°
C1NC2124.4°120.0°
NC1C8110.2°109.5°
NC1H109.6°109.5°
C1NH3105.6°120.0°
NC2N1118.6°120.8°
NC2C7120.5°120.8°
C2NH3105.6°120.0°
C2N1C3116.8°121.0°
N1C2C7120.8°118.3°
N1C3N2128.8°122.7°
N1C3H4115.6°118.6°
C3N2C4113.0°120.7°
N2C3H4115.6°118.7°
N2C4N3126.2°134.3°
N2C4C7125.4°118.5°
C4N3C5108.1°110.1°
N3C4C7108.2°107.2°
C4N3H1126.0°125.0°
N3C5C6110.2°109.7°
C5N3H1126.0°124.9°
N3C5H5124.9°125.1°
C5C6C7106.7°106.8°
C6C5H5124.9°125.1°
C5C6H6126.6°126.6°
C6C7C2137.6°135.1°
C6C7C4106.8°106.2°
C7C6H6126.7°126.6°
C2C7C4115.1°118.7°
C1C8C9121.1°120.0°
C1C8C13119.5°119.9°
C8C1H108.5°109.5°
C8C9C10121.3°120.1°
C9C8C13119.4°120.1°
C8C9H7119.4°119.9°
C9C10C11119.3°120.1°
C9C10H8120.4°120.0°
C10C9H7119.4°120.0°
C10C11C12119.9°119.8°
C10C11O3118.1°119.4°
C11C10H8120.3°119.9°
C11C12C13119.9°119.8°
C11C12O2122.2°120.8°
C12C11O3121.9°120.8°
C12C13C8120.3°120.0°
C13C12O2117.9°119.4°
C12C13H9119.9°120.0°
C8C13H9119.9°119.9°
C12O2C14114.8°116.7°
O2C14C15116.7°108.3°
O2C14H10107.6°109.7°
O2C14H11107.6°109.7°
C14C15O3113.9°108.1°
C14C15H12108.3°109.7°
C14C15H13108.3°109.7°
C15C14H10107.7°109.8°
C15C14H11107.6°109.7°
C15O3C11112.6°116.6°
O3C15H12108.4°109.9°
O3C15H13108.3°109.7°
H12C15H13109.5°109.7°
H10C14H11109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCO1C1178.6°180.0°
OCC1N11.2°0.0°
OCC1C8132.8°120.0°
OCO1H20.0°0.0°
OCC1H108.1°120.0°
O1CC1N170.2°180.0°
O1CC1C848.6°60.1°
O1CC1H70.5°60.0°
CC1NC8122.1°119.9°
CC1NH118.6°120.0°
CC1NC2128.4°85.0°
CC1C8H119.1°120.0°
CC1C8C983.4°79.9°
CC1C8C1397.7°99.7°
C1CO1H2178.5°180.0°
CC1NH36.4°95.0°
C1NC2H3122.0°180.0°
C1NC2N119.3°0.1°
C1NC2C7160.8°180.0°
NC1C8H119.9°120.0°
NC1C8C937.5°40.0°
NC1C8C13141.4°140.3°
NC2N1C7179.9°180.0°
NC2N1C3178.0°180.0°
NC2C7C610.0°0.0°
NC2C7C4179.4°180.0°
C2NC1C8109.5°155.0°
C2NC1H9.8°35.0°
C2N1C3N21.5°0.1°
N1C2C7C6170.1°179.9°
N1C2C7C40.5°0.0°
N1C2NH3141.3°179.9°
C2N1C3H4178.5°180.0°
N1C3N2H4180.0°180.0°
N1C3N2C40.5°0.0°
C3N1C2C71.9°0.0°
C3N2C4N3172.7°179.9°
C3N2C4C72.2°0.0°
N2C4N3C7175.7°179.9°
N2C4N3C5175.1°179.9°
N2C4C7C6175.1°180.0°
N2C4C7C21.7°0.0°
N2C4N3H14.8°0.0°
C4N2C3H4179.5°180.0°
C4N3C5H1180.0°180.0°
C4N3C5C60.2°0.0°
N3C4C7C60.6°0.0°
N3C4C7C2174.0°180.0°
C4N3C5H5179.8°180.0°
N3C5C6H5180.0°180.0°
N3C5C6C70.2°0.0°
C5N3C4C70.5°0.0°
N3C5C6H6179.8°180.0°
C5C6C7H6180.0°180.0°
C5C6C7C2171.6°180.0°
C5C6C7C40.5°0.0°
C6C5N3H1179.8°180.0°
C6C7C2C4170.6°180.0°
C7C6C5H5179.9°180.0°
C2C7C6H68.4°0.0°
C7C2NH338.8°0.0°
C7C4N3H1179.5°180.0°
C4C7C6H6179.5°180.0°
C1C8C9C13178.9°179.7°
C1C8C9C10178.1°179.6°
C1C8C13C12178.2°180.0°
C1C8C13H91.8°0.1°
C8C1NH3128.5°25.0°
C1C8C9H71.9°0.0°
C8C9C10H7180.0°179.6°
C8C9C10C110.1°0.6°
C9C8C13C120.7°0.3°
C8C9C10H8179.9°179.7°
C9C8C13H9179.3°179.6°
C9C8C1H157.5°160.0°
C9C10C11H8180.0°179.7°
C9C10C11C120.7°0.2°
C10C9C8C130.9°0.7°
C9C10C11O3176.5°179.7°
C10C11C12O3177.2°179.5°
C10C11C12C130.9°0.2°
C10C11C12O2179.9°179.7°
C10C11O3C15142.4°162.6°
C11C10C9H7179.9°179.8°
C11C12C13O2179.0°179.8°
C11C12C13C80.1°0.1°
C11C12O2C1427.9°17.3°
C12C11O3C1534.8°18.0°
C12C11C10H8179.2°179.9°
C11C12C13H9179.9°180.0°
C12C13C8H9180.0°179.9°
C13C12O2C14151.1°162.8°
C13C12C11O3176.3°179.3°
C8C13C12O2179.2°179.7°
C13C8C1H21.4°20.3°
C13C8C9H7179.1°179.7°
C12O2C14C1515.2°46.2°
O2C12C11O32.7°0.9°
O2C12C13H90.9°0.2°
C12O2C14H10136.3°73.5°
C12O2C14H11105.8°165.9°
O2C14C15H10121.0°119.7°
O2C14C15H11121.0°119.7°
O2C14C15O319.7°59.9°
O2C14C15H12140.4°59.9°
O2C14C15H13100.9°179.5°
O2C14H10H11116.7°120.5°
C14C15O3H12120.6°119.8°
C14C15O3H13120.6°119.6°
C14C15O3C1143.4°46.7°
C14C15H12H13118.0°120.6°
C15C14H10H11116.7°120.6°
O3C15H12H13118.0°120.6°
O3C15C14H10101.3°59.7°
O3C15C14H11140.8°179.6°
O3C11C10H83.5°0.6°
C11O3C15H12164.0°73.0°
C11O3C15H1377.3°166.3°
H1N3C5H50.2°0.0°
H5C5C6H60.1°0.0°
H8C10C9H70.1°0.1°
H12C15C14H1019.4°179.6°
H12C15C14H1198.6°59.7°
H13C15C14H10138.1°59.8°
H13C15C14H1120.1°60.8°
HC1NH3112.2°145.0°

222036

PDB entries from 2024-07-03

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