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00O

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C37C7doub1.38Å1.40ÅAromatic
C37C26sing1.38Å1.40ÅAromatic
C37H37sing1.08Å1.08Å
C26C25doub1.38Å1.39ÅAromatic
C26H26sing1.08Å1.08Å
C25C34sing1.38Å1.39ÅAromatic
C25H25sing1.08Å1.08Å
C23C34doub1.38Å1.40ÅAromatic
C34H34sing1.08Å1.08Å
C7C23sing1.38Å1.40ÅAromatic
C23H23sing1.08Å1.08Å
CBC7sing1.51Å1.55Å
CACBsing1.53Å1.55Å
CBC1sing1.51Å1.55Å
CBHB1sing1.09Å1.10Å
CCAsing1.51Å1.52Å
NCAsing1.47Å1.50Å
CAHAsing1.09Å1.10Å
COdoub1.21Å1.23Å
NHsing1.01Å1.00Å
NH2sing1.01Å1.00Å
C6C1doub1.38Å1.40ÅAromatic
C1C2sing1.38Å1.39ÅAromatic
C6C5sing1.38Å1.41ÅAromatic
C6H6sing1.08Å1.08Å
C5C4doub1.38Å1.39ÅAromatic
C5H5sing1.08Å1.08Å
C4C3sing1.38Å1.40ÅAromatic
C4H4sing1.08Å1.08Å
C2C3doub1.38Å1.40ÅAromatic
C3H3sing1.08Å1.08Å
C2H2Asing1.08Å1.08Å
COXTsing1.34Å31.91Å
OXTHXTsing0.97Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C37C26119.8°120.0°
C7C37H37120.1°120.0°
C37C7C23120.0°120.0°
C37C7CB116.7°120.0°
C26C37H37120.1°120.0°
C37C26C25119.6°120.0°
C37C26H26120.2°120.0°
C25C26H26120.2°120.0°
C26C25C34121.0°120.0°
C26C25H25119.5°120.0°
C34C25H25119.5°120.0°
C25C34C23119.3°120.0°
C25C34H34120.3°119.9°
C23C34H34120.3°120.1°
C34C23C7120.3°120.0°
C34C23H23119.9°120.0°
C7C23H23119.9°120.0°
C23C7CB123.3°120.0°
C7CBCA116.3°109.5°
C7CBC1108.5°109.5°
C7CBHB1105.8°109.5°
CACBC1110.7°109.5°
CACBHB1103.4°109.5°
CBCAC108.2°109.5°
CBCAN112.9°109.5°
CBCAHA108.9°109.5°
C1CBHB1111.9°109.5°
CBC1C6121.9°120.0°
CBC1C2119.4°120.0°
CCAN112.1°109.5°
CCAHA109.8°109.5°
CACO115.4°120.0°
CACOXT135.4°120.0°
NCAHA104.8°109.4°
CANH109.5°111.0°
CANH2109.5°111.0°
OCOXT62.7°120.0°
HNH2109.4°111.1°
C6C1C2118.7°120.0°
C1C6C5119.3°120.0°
C1C6H6120.3°120.0°
C1C2C3122.1°120.0°
C1C2H2A119.0°120.0°
C5C6H6120.4°120.0°
C6C5C4121.7°120.0°
C6C5H5119.2°120.0°
C4C5H5119.2°120.0°
C5C4C3119.2°120.0°
C5C4H4120.4°120.0°
C3C4H4120.4°120.0°
C4C3C2119.1°120.0°
C4C3H3120.4°120.0°
C2C3H3120.4°120.0°
C3C2H2A118.9°120.1°
COXTHXT90.0°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C37C26H37180.0°179.8°
C7C37C26C250.0°0.0°
C7C37C26H26180.0°179.9°
C37C7C23C340.1°0.1°
C37C7C23CB179.9°180.0°
C37C7C23H23179.9°180.0°
C37C7CBCA35.7°127.6°
C37C7CBC189.9°112.4°
C37C7CBHB1149.8°7.6°
C37C26C25H26180.0°179.9°
C37C26C25C340.0°0.1°
C37C26C25H25180.0°179.9°
C26C37C7C230.0°0.0°
C26C37C7CB180.0°180.0°
H37C37C26C25180.0°179.8°
H37C37C26H260.0°0.3°
H37C37C7C23180.0°179.7°
H37C37C7CB0.0°0.3°
C26C25C34H25180.0°180.0°
C26C25C34C230.0°0.0°
C26C25C34H34180.0°180.0°
H26C26C25C34180.0°180.0°
H26C26C25H250.0°0.0°
C25C34C23H34180.0°180.0°
C25C34C23C70.1°0.0°
C25C34C23H23179.9°180.0°
H25C25C34C23180.0°180.0°
H25C25C34H340.0°0.0°
C34C23C7H23180.0°179.9°
C34C23C7CB180.0°179.9°
H34C34C23C7180.0°179.9°
H34C34C23H230.1°0.0°
C23C7CBCA144.4°52.4°
C23C7CBC190.0°67.6°
C23C7CBHB130.3°172.4°
H23C23C7CB0.0°0.0°
C7CBCAC1124.5°120.0°
C7CBCAHB1115.4°120.0°
C7CBC1HB1116.4°120.0°
C7CBCAC176.0°60.0°
C7CBCAN51.3°180.0°
C7CBCAHA64.7°60.0°
C7CBC1C674.4°68.0°
C7CBC1C2105.7°111.7°
CACBC1HB1114.8°120.0°
CBCACN125.1°120.0°
CBCACHA118.8°120.0°
CBCANHA118.4°120.0°
CBCACO71.9°120.0°
CBCANH180.0°176.0°
CBCANH260.0°60.0°
CACBC1C654.4°52.0°
CACBC1C2125.5°128.3°
CBCACOXT147.9°60.0°
C1CBCAC59.6°180.0°
C1CBCAN175.8°60.0°
C1CBCAHA59.8°60.0°
CBC1C6C2180.0°179.7°
CBC1C6C5180.0°180.0°
CBC1C6H60.0°0.0°
CBC1C2C3180.0°179.8°
CBC1C2H2A0.0°0.0°
HB1CBCAC60.5°60.0°
HB1CBCAN64.1°60.0°
HB1CBCAHA179.9°179.9°
HB1CBC1C6169.2°172.0°
HB1CBC1C210.7°8.3°
CCANHA119.1°120.0°
CACOOXT130.0°180.0°
CCANH57.5°56.0°
CCANH2177.5°180.0°
CACOXTHXT90.0°179.9°
NCACO53.3°0.1°
CANHH2120.0°124.0°
NCACOXT22.7°180.0°
HACACO169.3°120.0°
HACANH61.6°64.0°
HACANH258.4°60.0°
HACACOXT93.3°60.0°
OCOXTHXT90.0°0.0°
C1C6C5H6180.0°180.0°
C1C6C5C40.1°0.1°
C1C6C5H5179.9°180.0°
C6C1C2C30.1°0.5°
C6C1C2H2A179.9°179.7°
C2C1C6C50.0°0.3°
C2C1C6H6180.0°179.7°
C1C2C3C40.0°0.4°
C1C2C3H2A180.0°179.8°
C1C2C3H3180.0°179.7°
C6C5C4H5180.0°180.0°
C6C5C4C30.1°0.0°
C6C5C4H4179.9°179.9°
H6C6C5C4179.9°179.9°
H6C6C5H50.1°0.1°
C5C4C3H4180.0°179.9°
C5C4C3C20.1°0.2°
C5C4C3H3179.9°179.9°
H5C5C4C3179.9°180.0°
H5C5C4H40.1°0.1°
C4C3C2H3180.0°179.9°
C4C3C2H2A180.0°179.8°
H4C4C3C2180.0°179.9°
H4C4C3H30.1°0.0°
H3C3C2H2A0.0°0.1°

217705

PDB entries from 2024-03-27

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