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UHW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C12N11sing1.47Å1.49Å
N11C10sing1.47Å1.46Å
N11C13sing1.47Å1.47Å
C10C09sing1.53Å1.55Å
C13C14sing1.53Å1.56Å
C09N08sing1.47Å1.50Å
C14N08sing1.47Å1.50Å
N08S07sing1.66Å1.63Å
O16S07doub1.42Å1.42Å
S07O15doub1.42Å1.43Å
S07C06sing1.76Å1.76Å
C06C05doub1.38Å1.39ÅAromatic
C06C17sing1.38Å1.40ÅAromatic
C05C04sing1.38Å1.38ÅAromatic
C17C18doub1.38Å1.41ÅAromatic
C04C03doub1.40Å1.39ÅAromatic
C18C03sing1.40Å1.40ÅAromatic
C03C02sing1.47Å1.48Å
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C13H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C17H5sing1.08Å1.08Å
C02H6sing1.08Å1.08Å
C04H9sing1.08Å1.08Å
C05H10sing1.08Å1.08Å
C09H11sing1.09Å1.10Å
C09H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C18H18sing1.08Å1.08Å
C02O1doub1.21Å1.43Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12N11C10108.1°111.0°
C12N11C13109.1°111.0°
N11C12H13109.5°109.5°
N11C12H14109.5°109.5°
N11C12H15109.5°109.4°
C10N11C13110.1°111.3°
N11C10C09110.8°109.3°
N11C10H1109.1°109.5°
N11C10H2109.1°109.6°
N11C13C14111.2°109.4°
N11C13H3109.0°109.5°
N11C13H4109.0°109.5°
C10C09N08112.0°108.5°
C09C10H1109.1°109.5°
C09C10H2109.1°109.5°
C10C09H11108.8°109.7°
C10C09H12108.9°109.7°
C13C14N08111.3°108.5°
C14C13H3109.0°109.5°
C14C13H4109.0°109.5°
C13C14H16109.0°109.6°
C13C14H17109.0°109.6°
C09N08C14104.0°118.2°
C09N08S07121.1°120.9°
N08C09H11108.8°109.6°
N08C09H12108.8°109.6°
C14N08S07121.0°120.9°
N08C14H16109.0°109.7°
N08C14H17109.0°109.7°
N08S07O16110.3°106.4°
N08S07O15105.6°106.4°
N08S07C06107.3°107.2°
O16S07O15118.1°123.1°
O16S07C06107.1°106.4°
O15S07C06108.1°106.4°
S07C06C05121.8°119.9°
S07C06C17124.3°119.9°
C05C06C17113.9°120.3°
C06C05C04124.8°120.2°
C06C05H10117.6°119.9°
C06C17C18122.6°120.2°
C06C17H5118.7°119.9°
C05C04C03120.8°119.8°
C05C04H9119.6°120.1°
C04C05H10117.6°119.9°
C17C18C03121.1°119.8°
C18C17H5118.7°119.9°
C17C18H18119.4°120.1°
C04C03C18116.7°119.7°
C04C03C02121.0°120.2°
C03C04H9119.6°120.1°
C18C03C02122.3°120.1°
C03C18H18119.4°120.1°
C03C02H6123.2°120.0°
C03C02O1113.7°120.0°
H1C10H2109.5°109.5°
H3C13H4109.5°109.4°
H6C02O1123.2°120.0°
H11C09H12109.5°109.8°
H13C12H14109.5°109.5°
H13C12H15109.4°109.4°
H14C12H15109.5°109.5°
H16C14H17109.5°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C12N11C10C13119.1°124.2°
C12N11C10C09174.0°172.7°
C12N11C13C14173.4°172.7°
C12N11C10H153.8°52.8°
C12N11C10H265.8°67.2°
C12N11C13H366.4°67.3°
C12N11C13H453.1°52.8°
N11C12H13H14120.0°120.0°
N11C12H13H15120.0°119.9°
N11C12H14H15120.0°120.0°
N11C10C09H1120.2°119.9°
N11C10C09H2120.2°120.0°
C10N11C13C1454.8°63.1°
N11C10C09N0860.8°53.9°
N11C10H1H2119.4°120.1°
C10N11C13H3175.1°56.9°
C10N11C13H465.4°176.9°
N11C10C09H11178.9°173.5°
N11C10C09H1259.6°65.9°
C10N11C12H13180.0°59.9°
C10N11C12H1460.0°180.0°
C10N11C12H1560.0°60.0°
C13N11C10C0954.8°63.1°
N11C13C14H3120.3°120.0°
N11C13C14H4120.3°120.0°
N11C13C14N0860.2°53.8°
C13N11C10H165.4°177.0°
C13N11C10H2175.1°56.9°
N11C13H3H4119.2°120.1°
C13N11C12H1360.2°64.4°
C13N11C12H14179.7°55.7°
C13N11C12H1559.7°175.7°
N11C13C14H1660.0°65.9°
N11C13C14H17179.5°173.6°
C10C09N08H11120.3°119.7°
C10C09N08H12120.4°119.7°
C10C09N08C1461.4°51.2°
C10C09N08S07158.2°128.8°
C09C10H1H2119.4°120.0°
C10C09H11H12118.9°120.5°
C13C14N08C0960.7°51.2°
C13C14N08H16120.3°119.7°
C13C14N08H17120.3°119.7°
C13C14N08S07158.9°128.9°
C14C13H3H4119.2°120.0°
C13C14H16H17119.1°120.4°
C09N08C14S07140.5°180.0°
C09N08S07O1640.5°156.5°
C09N08S07O15169.1°23.5°
C09N08S07C0675.8°90.0°
N08C09C10H159.4°173.8°
N08C09C10H2179.0°66.2°
N08C09H11H12118.9°120.5°
C09N08C14H1659.6°68.5°
C09N08C14H17179.1°170.9°
C14N08S07O16174.3°23.6°
C14N08S07O1557.1°156.5°
C14N08S07C0658.0°90.0°
N08C14C13H3179.5°66.2°
N08C14C13H460.0°173.8°
C14N08C09H11178.3°170.9°
C14N08C09H1259.0°68.5°
N08C14H16H17119.2°120.6°
N08S07O16O15121.5°122.9°
N08S07O16C06116.4°114.1°
N08S07O15C06114.5°114.1°
N08S07C06C0579.2°90.0°
N08S07C06C1797.8°90.0°
S07N08C09H1137.9°9.1°
S07N08C09H1281.4°111.4°
S07N08C14H1680.9°111.5°
S07N08C14H1738.6°9.2°
O16S07O15C06121.6°122.9°
O16S07C06C0539.2°23.6°
O16S07C06C17143.8°156.4°
O15S07C06C05167.3°156.5°
O15S07C06C1715.6°23.5°
S07C06C05C17177.3°180.0°
S07C06C05C04178.7°179.5°
S07C06C17C18178.8°180.0°
S07C06C17H51.2°0.3°
S07C06C05H101.3°0.2°
C06C05C04H10180.0°179.3°
C05C06C17C181.5°0.0°
C06C05C04C030.2°0.7°
C05C06C17H5178.5°179.8°
C06C05C04H9179.8°179.8°
C17C06C05C041.4°0.5°
C06C17C18H5180.0°179.8°
C06C17C18C030.5°0.3°
C17C06C05H10178.6°179.8°
C06C17C18H18179.5°179.8°
C05C04C03H9180.0°179.5°
C05C04C03C180.9°0.4°
C05C04C03C02180.0°179.5°
C17C18C03C040.7°0.1°
C17C18C03H18180.0°179.9°
C17C18C03C02179.8°180.0°
C04C03C18C02179.1°180.0°
C04C03C02H613.7°180.0°
C03C04C05H10179.8°180.0°
C04C03C18H18179.3°180.0°
C04C03C02O1166.3°0.0°
C03C18C17H5179.5°180.0°
C18C03C02H6165.3°0.0°
C18C03C04H9179.1°180.0°
C18C03C02O114.7°180.0°
C03C02H6O1180.0°180.0°
C02C03C04H90.0°0.0°
C02C03C18H180.2°0.0°
H1C10C09H1160.9°66.6°
H1C10C09H12179.8°54.0°
H2C10C09H1158.7°53.5°
H2C10C09H1260.6°174.1°
H3C13C14H1660.2°174.1°
H3C13C14H1759.2°53.6°
H4C13C14H16179.7°54.1°
H4C13C14H1760.2°66.4°
H5C17C18H180.6°0.0°
H9C04C05H100.2°0.5°
H13C12H14H15120.0°120.0°

222415

PDB entries from 2024-07-10

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