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4SB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16Csing1.53Å1.52Å
CNsing1.47Å1.46Å
CHsing1.09Å1.10Å
CHAsing1.09Å1.10Å
NHNsing1.01Å1.00Å
NHNAsing1.01Å1.00Å
OC08sing1.36Å1.39Å
OHOsing0.97Å0.95Å
BRC09sing1.89Å1.92Å
C10C01doub1.40Å1.38ÅAromatic
C01C02sing1.47Å1.49Å
C01C06sing1.40Å1.39ÅAromatic
C02N01doub1.30Å1.42Å
N02N01sing1.40Å1.37Å
C03O01doub1.21Å1.23Å
C02H02sing1.08Å1.08Å
N02C03sing1.35Å1.44Å
N02HN02sing0.97Å1.00Å
C04C03sing1.51Å1.52Å
C16C04sing1.53Å1.53Å
C04C05sing1.51Å1.51Å
C04H04sing1.09Å1.10Å
C11C05doub1.38Å1.39ÅAromatic
C05C15sing1.38Å1.40ÅAromatic
C07C06doub1.38Å1.40ÅAromatic
C06H06sing1.08Å1.08Å
C08C07sing1.39Å1.40ÅAromatic
C07H07sing1.08Å1.08Å
C09C08doub1.39Å1.37ÅAromatic
C09C10sing1.38Å1.36ÅAromatic
C10H10sing1.08Å1.08Å
C11C12sing1.38Å1.39ÅAromatic
C11H11sing1.08Å1.08Å
C12C13doub1.38Å1.38ÅAromatic
C12H12sing1.08Å1.08Å
C13C14sing1.38Å1.39ÅAromatic
C13H13sing1.08Å1.08Å
C15C14doub1.38Å1.40ÅAromatic
C14H14sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C16CN111.2°109.4°
C16CH108.9°109.5°
C16CHA108.9°109.5°
CC16C04110.1°109.4°
CC16H16109.3°109.5°
CC16H16A109.3°109.5°
NCH108.9°109.5°
NCHA108.9°109.5°
CNHN109.5°110.9°
CNHNA109.5°111.1°
HCHA110.0°109.5°
HNNHNA109.5°111.0°
C08OHO109.5°114.0°
OC08C07124.0°119.9°
OC08C09116.1°119.9°
BRC09C08120.9°120.0°
BRC09C10117.0°120.0°
C10C01C02113.2°120.1°
C10C01C06121.8°119.8°
C01C10C09118.5°119.9°
C01C10H10120.8°120.1°
C02C01C06124.9°120.1°
C01C02N01119.9°120.0°
C01C02H02120.1°120.0°
C01C06C07118.7°119.9°
C01C06H06120.6°120.0°
C02N01N02105.2°120.0°
N01C02H02120.1°120.0°
N01N02C03115.1°120.0°
N01N02HN02122.5°120.0°
O01C03N02117.2°120.0°
O01C03C04122.7°120.0°
C03N02HN02122.4°119.9°
N02C03C04120.1°120.1°
C03C04C16111.9°109.5°
C03C04C05109.2°109.5°
C03C04H04108.7°109.4°
C16C04C05111.5°109.5°
C16C04H04106.4°109.5°
C04C16H16109.2°109.5°
C04C16H16A109.2°109.5°
C05C04H04109.1°109.4°
C04C05C11120.3°120.0°
C04C05C15120.7°120.1°
C11C05C15119.0°120.0°
C05C11C12119.9°120.0°
C05C11H11120.0°120.0°
C05C15C14120.7°120.0°
C05C15H15119.7°119.9°
C07C06H06120.6°120.1°
C06C07C08119.0°120.1°
C06C07H07120.5°119.9°
C08C07H07120.5°120.0°
C07C08C09119.9°120.2°
C08C09C10122.1°120.0°
C09C10H10120.8°120.0°
C12C11H11120.1°120.0°
C11C12C13120.8°120.0°
C11C12H12119.6°120.0°
C13C12H12119.6°120.0°
C12C13C14119.9°120.0°
C12C13H13120.1°120.0°
C14C13H13120.1°120.0°
C13C14C15119.7°120.0°
C13C14H14120.2°120.0°
C15C14H14120.2°120.0°
C14C15H15119.6°120.1°
H16C16H16A109.7°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C16CNH120.0°120.0°
C16CNHA120.0°120.0°
C16CHHA119.3°120.0°
C16CNHN180.0°180.0°
C16CNHNA60.0°56.1°
CC16C04C03133.5°174.3°
CC16C04H16120.0°120.0°
CC16C04H16A120.0°120.0°
CC16C04C05103.9°65.7°
CC16C04H0415.0°54.3°
CC16H16H16A119.8°120.0°
NCHHA119.3°120.0°
CNHNHNA120.0°124.0°
NCC16C0471.5°174.9°
NCC16H1648.4°54.9°
NCC16H16A168.5°65.2°
HCNHN60.0°60.1°
HCNHNA180.0°63.9°
HCC16C0448.4°65.1°
HCC16H16168.4°174.8°
HCC16H16A71.6°54.8°
HACNHN60.0°60.0°
HACNHNA60.0°176.1°
HACC16C04168.4°54.9°
HACC16H1671.6°65.1°
HACC16H16A48.4°174.9°
OC08C09BR0.9°0.0°
OC08C07C06179.7°179.9°
OC08C07C09179.4°180.0°
OC08C07H070.2°0.0°
OC08C09C10179.7°179.7°
HOOC08C07180.0°90.0°
HOOC08C090.6°90.1°
BRC09C10C01179.7°179.7°
BRC09C08C07179.6°180.0°
BRC09C08C10178.7°179.7°
BRC09C10H100.3°0.0°
C10C01C02C06179.9°179.8°
C10C01C02N01179.0°0.2°
C10C01C02H021.0°179.8°
C10C01C06C070.2°0.2°
C10C01C06H06179.9°179.8°
C01C10C09C080.9°0.6°
C01C10C09H10180.0°179.7°
C01C02N01H02180.0°180.0°
C01C02N01N02176.4°180.0°
C02C01C06C07179.7°180.0°
C02C01C06H060.2°0.0°
C02C01C10C09179.7°179.7°
C02C01C10H100.2°0.1°
C06C01C02N010.9°180.0°
C06C01C02H02179.1°0.0°
C01C06C07H06180.0°180.0°
C01C06C07C080.2°0.1°
C01C06C07H07179.9°180.0°
C06C01C10C090.4°0.5°
C06C01C10H10179.7°179.7°
C02N01N02C03177.3°180.0°
C02N01N02HN022.7°0.0°
N01N02C03O010.8°5.2°
N02N01C02H023.6°0.0°
N01N02C03HN02180.0°180.0°
N01N02C03C04179.9°174.8°
O01C03N02C04179.3°180.0°
O01C03N02HN02179.2°174.8°
O01C03C04C16162.1°85.7°
O01C03C04C0574.0°34.4°
O01C03C04H0445.0°154.3°
N02C03C04C1618.7°94.3°
N02C03C04C05105.2°145.6°
N02C03C04H04135.8°25.6°
HN02N02C03C040.1°5.3°
C03C04C16C05122.6°120.1°
C03C04C16H04118.6°120.0°
C03C04C05H04118.7°120.0°
C03C04C05C1166.2°60.3°
C03C04C05C15114.0°120.0°
C03C04C16H1613.5°54.3°
C03C04C16H16A106.4°65.8°
C16C04C05H04117.2°120.0°
C16C04C05C1157.9°59.7°
C16C04C05C15121.9°120.0°
C04C16H16H16A119.7°120.0°
C04C05C11C15179.7°179.7°
C04C05C11C12179.8°180.0°
C04C05C11H110.2°0.0°
C04C05C15C14179.8°179.8°
C04C05C15H150.2°0.0°
C05C04C16H16136.1°174.3°
C05C04C16H16A16.2°54.3°
H04C04C05C11175.0°179.7°
H04C04C05C154.7°0.0°
H04C04C16H16105.0°65.7°
H04C04C16H16A135.0°174.3°
C05C11C12H11180.0°180.0°
C05C11C12C130.1°0.0°
C05C11C12H12179.9°180.0°
C11C05C15C140.5°0.5°
C11C05C15H15179.5°179.7°
C15C05C11C120.4°0.3°
C15C05C11H11179.5°179.8°
C05C15C14C130.1°0.5°
C05C15C14H15180.0°179.8°
C05C15C14H14180.0°179.8°
C06C07C08H07180.0°179.9°
C06C07C08C090.3°0.0°
H06C06C07C08179.9°179.9°
H06C06C07H070.1°0.0°
C07C08C09C100.9°0.3°
H07C07C08C09179.6°180.0°
C08C09C10H10179.1°179.7°
C11C12C13H12180.0°180.0°
C11C12C13C140.5°0.0°
C11C12C13H13179.5°180.0°
H11C11C12C13180.0°180.0°
H11C11C12H120.0°0.0°
C12C13C14H13180.0°179.9°
C12C13C14C150.4°0.2°
C12C13C14H14179.5°180.0°
H12C12C13C14179.5°180.0°
H12C12C13H130.5°0.1°
C13C14C15H14180.0°179.8°
C13C14C15H15180.0°179.7°
H13C13C14C15179.6°179.8°
H13C13C14H140.5°0.1°
H14C14C15H150.0°0.0°

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PDB entries from 2024-08-07

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