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MHF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.36Å1.36ÅAromatic
N1C8Asing1.37Å1.41ÅAromatic
N1HN1sing0.97Å1.02Å
C2NA2sing1.37Å1.34Å
C2N3doub1.32Å1.35ÅAromatic
NA2HN21sing0.97Å1.02Å
NA2HN22sing0.97Å1.02Å
N3C4sing1.34Å1.45ÅAromatic
C4O4doub1.22Å1.25Å
C4C4Asing1.40Å1.42ÅAromatic
C4AN5sing1.40Å1.41Å
C4AC8Adoub1.37Å1.45ÅAromatic
N5C6sing1.48Å1.46Å
N5C11sing1.48Å1.26Å
C6C7sing1.53Å1.45Å
C6C9sing1.54Å1.48Å
C6H6sing1.09Å1.12Å
C7N8sing1.47Å1.51Å
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.11Å
N8C8Asing1.38Å1.39Å
N8H8sing0.97Å1.02Å
C9N10sing1.49Å1.43Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.12Å
N10C11sing1.49Å1.38Å
N10C15sing1.39Å1.38Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.11Å
C12C13doub1.40Å1.38ÅAromatic
C12C17sing1.40Å1.42ÅAromatic
C12Csing1.47Å1.54Å
C13C14sing1.38Å1.36ÅAromatic
C13H13sing1.08Å1.10Å
C14C15doub1.39Å1.41ÅAromatic
C14H14sing1.08Å1.10Å
C15C16sing1.39Å1.44ÅAromatic
C16C17doub1.38Å1.39ÅAromatic
C16H16sing1.08Å1.10Å
C17H17sing1.08Å1.10Å
COdoub1.22Å1.31Å
CNsing1.35Å1.32Å
NCAsing1.47Å1.49Å
NHNsing0.97Å1.02Å
CACBsing1.53Å1.56Å
CACTsing1.51Å1.59Å
CAHAsing1.09Å1.11Å
CBCGsing1.53Å1.53Å
CBHB1sing1.09Å1.11Å
CBHB2sing1.09Å1.12Å
CGCDsing1.51Å1.50Å
CGHG1sing1.09Å1.12Å
CGHG2sing1.09Å1.11Å
CDOE1doub1.21Å1.30Å
CDOE2sing1.34Å1.28Å
OE2HOE2sing0.97Å0.95Å
CTO1doub1.21Å1.29Å
CTO2sing1.34Å1.28Å
O2HO2sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C8A117.0°120.1°
C2N1HN1109.4°119.9°
N1C2NA2115.3°119.2°
N1C2N3126.6°121.6°
C8AN1HN1109.5°120.0°
N1C8AC4A122.4°118.6°
N1C8AN8117.2°121.1°
NA2C2N3118.1°119.2°
C2NA2HN21115.3°120.0°
C2NA2HN22110.1°120.0°
C2N3C4116.9°120.9°
HN21NA2HN22110.1°120.0°
N3C4O4117.7°120.4°
N3C4C4A121.3°119.3°
O4C4C4A120.9°120.4°
C4C4AN5125.9°123.1°
C4C4AC8A115.8°119.6°
N5C4AC8A117.8°117.3°
C4AN5C6114.8°122.2°
C4AN5C11135.9°131.6°
C4AC8AN8120.3°120.4°
C6N5C11106.2°106.1°
N5C6C7110.3°106.0°
N5C6C9105.4°106.0°
N5C6H6114.3°111.2°
N5C11N10112.4°104.3°
N5C11H111111.1°110.6°
N5C11H112111.1°110.1°
C7C6C9116.5°111.3°
C7C6H6102.8°111.0°
C6C7N8107.8°108.1°
C6C7H71112.8°109.7°
C6C7H72112.9°109.8°
C9C6H6107.9°111.0°
C6C9N10102.9°104.5°
C6C9H91114.7°110.5°
C6C9H92114.7°110.5°
N8C7H71112.8°109.7°
N8C7H72112.9°109.7°
C7N8C8A118.7°121.2°
C7N8H8108.9°119.3°
H71C7H7297.6°109.8°
C8AN8H8108.9°119.4°
N10C9H91114.7°110.4°
N10C9H92114.7°110.4°
C9N10C11107.2°103.3°
C9N10C15121.1°106.7°
H91C9H9295.8°110.5°
C11N10C15131.2°106.7°
N10C11H111111.1°110.6°
N10C11H112111.1°110.5°
N10C15C14118.3°119.9°
N10C15C16123.0°119.9°
H111C11H11299.3°110.6°
C13C12C17118.8°119.8°
C13C12C118.7°120.1°
C12C13C14122.0°120.0°
C12C13H13119.9°120.0°
C17C12C122.5°120.1°
C12C17C16120.8°119.9°
C12C17H17120.6°119.9°
C12CO119.4°120.0°
C12CN119.8°120.0°
C14C13H13118.1°120.0°
C13C14C15120.8°120.0°
C13C14H14117.7°120.0°
C15C14H14121.4°120.0°
C14C15C16118.6°120.2°
C15C16C17118.9°120.1°
C15C16H16122.2°120.0°
C17C16H16118.8°119.9°
C16C17H17118.6°120.1°
OCN120.9°120.0°
CNCA121.2°120.0°
CNHN113.4°120.0°
CANHN125.5°120.0°
NCACB107.7°109.5°
NCACT112.7°109.5°
NCAHA110.6°109.5°
CBCACT114.9°109.5°
CBCAHA108.1°109.5°
CACBCG120.9°109.5°
CACBHB1108.2°109.5°
CACBHB2108.1°109.5°
CTCAHA102.6°109.5°
CACTO1120.8°120.0°
CACTO2118.9°120.0°
CGCBHB1108.2°109.5°
CGCBHB2108.1°109.4°
CBCGCD116.2°109.5°
CBCGHG1109.8°109.5°
CBCGHG2109.8°109.4°
HB1CBHB2101.7°109.5°
CDCGHG1109.8°109.4°
CDCGHG2109.8°109.5°
CGCDOE1119.9°120.0°
CGCDOE2118.6°120.0°
HG1CGHG2100.4°109.5°
OE1CDOE2121.5°120.0°
CDOE2HOE2118.6°120.0°
O1CTO2120.3°120.0°
CTO2HO2118.9°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1C8AHN1125.2°179.5°
N1C2NA2N3179.8°179.6°
N1C2NA2HN21179.9°179.7°
N1C2NA2HN2254.7°0.6°
N1C2N3C40.5°0.2°
C2N1C8AC4A0.6°1.2°
C2N1C8AN8175.5°178.9°
C8AN1C2NA2178.9°179.6°
C8AN1C2N30.9°0.8°
N1C8AC4AC40.0°1.0°
N1C8AC4AN5172.5°178.6°
N1C8AC4AN8176.0°179.9°
N1C8AN8C7179.7°163.7°
N1C8AN8H854.4°16.2°
HN1N1C2NA253.7°0.1°
HN1N1C2N3126.1°179.8°
HN1N1C8AC4A125.8°179.4°
HN1N1C8AN850.3°0.6°
C2NA2HN21HN22125.3°179.6°
NA2C2N3C4179.3°179.8°
N3C2NA2HN210.1°0.1°
N3C2NA2HN22125.5°179.7°
C2N3C4O4176.6°180.0°
C2N3C4C4A0.2°0.1°
N3C4O4C4A176.4°179.9°
N3C4C4AN5171.4°179.1°
N3C4C4AC8A0.4°0.5°
O4C4C4AN54.9°0.8°
O4C4C4AC8A176.7°179.6°
C4C4AN5C8A171.6°179.7°
C4C4AN5C6149.1°161.5°
C4C4AN5C1154.0°23.8°
C4C4AC8AN8176.0°179.0°
C4AN5C6C11163.4°175.9°
C4AN5C6C756.7°45.6°
C4AN5C6C9176.8°164.0°
C4AN5C6H658.5°75.2°
N5C4AC8AN83.5°1.3°
C4AN5C11N10176.0°142.9°
C4AN5C11H11150.8°24.1°
C4AN5C11H11258.8°98.5°
C8AC4AN5C622.5°18.9°
C8AC4AN5C11134.3°155.9°
C4AC8AN8C74.1°16.3°
C4AC8AN8H8129.4°163.8°
N5C6C7C9120.1°114.9°
N5C6C7H6122.3°120.9°
N5C6C9H6122.5°120.9°
N5C6C7N860.9°53.3°
N5C6C7H71173.9°66.3°
N5C6C7H7264.4°172.9°
N5C6C9N106.7°13.0°
N5C6C9H91132.0°131.7°
N5C6C9H92118.5°105.7°
C6N5C11N1025.8°32.5°
C6N5C11H111151.0°151.3°
C6N5C11H11299.4°86.1°
C11N5C6C7106.8°130.3°
C11N5C6C919.7°11.9°
C11N5C6H6138.0°108.9°
N5C11N10C921.8°40.6°
N5C11N10H111125.2°118.8°
N5C11N10H112125.2°118.3°
N5C11N10C15150.4°152.8°
N5C11H111H112117.0°122.3°
C7C6C9H6114.8°124.2°
C6C7N8H71125.2°119.6°
C6C7N8H72125.3°119.7°
C6C7H71H72118.8°120.7°
C6C7N8C8A36.0°43.8°
C6C7N8H8161.3°136.3°
C7C6C9N10116.0°101.8°
C7C6C9H919.3°16.9°
C7C6C9H92118.8°139.4°
C9C6C7N8179.1°168.2°
C9C6C7H7153.8°48.6°
C9C6C7H7255.6°72.2°
C6C9N10H91125.3°118.8°
C6C9N10H92125.2°118.8°
C6C9H91H92120.6°122.5°
C6C9N10C117.2°32.6°
C6C9N10C15165.9°144.9°
H6C6C7N861.4°67.6°
H6C6C7H7163.8°172.8°
H6C6C7H72173.3°52.0°
H6C6C9N10129.2°133.9°
H6C6C9H91105.5°107.4°
H6C6C9H924.0°15.2°
N8C7H71H72118.8°120.7°
C7N8C8AH8125.3°179.9°
H71C7N8C8A161.2°75.8°
H71C7N8H873.5°104.1°
H72C7N8C8A89.2°163.5°
H72C7N8H836.1°16.6°
N10C9H91H92120.6°122.4°
C9N10C11C15172.1°112.2°
C9N10C11H111147.0°159.4°
C9N10C11H112103.5°77.7°
C9N10C15C1439.1°126.3°
C9N10C15C16138.2°53.6°
H91C9N10C11118.1°151.3°
H91C9N10C1568.8°96.4°
H92C9N10C11132.4°86.2°
H92C9N10C1540.7°26.1°
N10C11H111H112117.0°122.8°
C11N10C15C14149.7°123.8°
C11N10C15C1633.0°56.3°
C15N10C11H11125.1°88.3°
C15N10C11H11284.4°34.5°
N10C15C14C13177.9°180.0°
N10C15C14C16177.5°179.9°
N10C15C14H142.1°0.1°
N10C15C16C17178.0°179.7°
N10C15C16H162.0°0.1°
C13C12C17C179.5°179.9°
C12C13C14H13180.0°180.0°
C12C13C14C150.1°0.0°
C12C13C14H14179.9°180.0°
C13C12C17C160.2°0.3°
C13C12C17H17179.7°179.9°
C13C12CO0.3°0.0°
C13C12CN178.3°180.0°
C17C12C13C140.4°0.0°
C17C12C13H13179.5°180.0°
C12C17C16C150.3°0.5°
C12C17C16H17180.0°179.8°
C12C17C16H16179.6°179.9°
C17C12CO179.8°180.0°
C17C12CN1.2°0.0°
CC12C13C14179.1°180.0°
CC12C13H131.0°0.0°
CC12C17C16179.3°179.8°
CC12C17H170.8°0.0°
C12CON178.6°180.0°
C12CNCA147.2°180.0°
C12CNHN32.9°0.0°
C13C14C15H14180.0°180.0°
C13C14C15C160.4°0.2°
H13C13C14C15179.8°180.0°
H13C13C14H140.1°0.0°
C14C15C16C170.6°0.4°
C14C15C16H16179.3°180.0°
H14C14C15C16179.5°179.8°
C15C16C17H16180.0°179.6°
C15C16C17H17179.7°179.7°
H16C16C17H170.3°0.1°
OCNCA31.4°0.0°
OCNHN148.6°180.0°
CNCAHN180.0°180.0°
CNCACB90.0°150.0°
CNCACT142.1°90.0°
CNCAHA27.9°30.0°
NCACBCT126.5°120.0°
NCACBHA119.5°120.0°
NCACTHA119.0°120.0°
NCACBCG179.8°60.0°
NCACBHB154.5°60.0°
NCACBHB255.0°179.9°
NCACTO134.6°150.0°
NCACTO2144.3°30.0°
HNNCACB90.0°30.0°
HNNCACT37.9°90.0°
HNNCAHA152.1°150.0°
CBCACTHA117.1°120.0°
CACBCGHB1125.3°120.0°
CACBCGHB2125.3°120.0°
CACBHB1HB2113.8°120.1°
CACBCGCD160.8°180.0°
CACBCGHG174.0°60.0°
CACBCGHG235.5°60.0°
CBCACTO189.3°90.0°
CBCACTO291.8°90.0°
CTCACBCG53.7°180.0°
CTCACBHB1179.0°60.0°
CTCACBHB271.6°60.0°
CACTO1O2178.9°180.0°
CACTO2HO2180.0°180.0°
HACACBCG60.3°60.0°
HACACBHB165.1°180.0°
HACACBHB2174.5°60.0°
HACACTO1153.6°30.0°
HACACTO225.3°150.0°
CGCBHB1HB2113.7°119.9°
CBCGCDHG1125.3°120.0°
CBCGCDHG2125.3°120.0°
CBCGHG1HG2115.6°120.0°
CBCGCDOE140.8°0.0°
CBCGCDOE2139.9°179.9°
HB1CBCGCD35.5°60.0°
HB1CBCGHG1160.7°180.0°
HB1CBCGHG289.8°60.0°
HB2CBCGCD74.0°60.0°
HB2CBCGHG151.3°60.0°
HB2CBCGHG2160.8°180.0°
CDCGHG1HG2115.6°120.0°
CGCDOE1OE2179.4°179.9°
CGCDOE2HOE2180.0°180.0°
HG1CGCDOE184.5°120.0°
HG1CGCDOE294.9°60.0°
HG2CGCDOE1166.1°120.0°
HG2CGCDOE214.6°60.0°
OE1CDOE2HOE20.6°0.1°
O1CTO2HO21.1°0.0°

225158

PDB entries from 2024-09-18

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