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R4E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACABdoub1.38Å1.40ÅAromatic
CAACAFsing1.40Å1.39ÅAromatic
CABCACsing1.39Å1.39ÅAromatic
CACCADdoub1.38Å1.39ÅAromatic
CADCAEsing1.40Å1.42ÅAromatic
CADNAMsing1.40Å1.34Å
CAECAFdoub1.41Å1.41ÅAromatic
CAECAHsing1.46Å1.41Å
CAFCAGsing1.47Å1.42Å
CAGNAJsing1.35Å1.38Å
CAGOAKdoub1.22Å1.23Å
CAHCAIdoub1.34Å1.41Å
CAINAJsing1.37Å1.39Å
CAICALsing1.51Å1.54Å
CALCANsing1.53Å1.53Å
CANCAOsing1.53Å1.54Å
CAOCAPsing1.53Å1.53Å
CAPCAQsing1.53Å1.55Å
CAAHAAsing1.08Å1.08Å
CABHABsing1.08Å1.08Å
CACHACsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
NAJHNAJsing0.97Å1.00Å
CALHALsing1.09Å1.10Å
CALHALAsing1.09Å1.10Å
NAMHNAMsing0.97Å1.00Å
NAMHNAAsing0.97Å1.00Å
CANHANsing1.09Å1.10Å
CANHANAsing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CAQHAQBsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABCAACAF120.7°119.7°
CAACABCAC120.8°120.9°
CABCAAHAA119.7°120.2°
CAACABHAB119.6°119.5°
CAACAFCAE119.0°119.7°
CAACAFCAG120.4°121.9°
CAFCAAHAA119.6°120.1°
CABCACCAD119.5°120.6°
CACCABHAB119.6°119.6°
CABCACHAC120.2°119.7°
CACCADCAE120.4°119.4°
CACCADNAM116.4°120.3°
CADCACHAC120.2°119.7°
CAECADNAM123.2°120.3°
CADCAECAF119.5°119.7°
CADCAECAH122.1°122.0°
CADNAMHNAM109.5°120.0°
CADNAMHNAA109.5°120.0°
CAFCAECAH118.4°118.4°
CAECAFCAG120.6°118.3°
CAECAHCAI120.3°119.5°
CAECAHHAH119.8°120.2°
CAFCAGNAJ119.8°119.3°
CAFCAGOAK124.0°120.4°
NAJCAGOAK116.3°120.3°
CAGNAJCAI120.6°122.2°
CAGNAJHNAJ119.7°118.9°
CAHCAINAJ120.3°122.4°
CAHCAICAL125.0°118.8°
CAICAHHAH119.8°120.3°
NAJCAICAL114.7°118.8°
CAINAJHNAJ119.7°118.9°
CAICALCAN115.2°109.5°
CAICALHAL108.0°109.5°
CAICALHALA108.0°109.5°
CALCANCAO112.3°109.5°
CANCALHAL108.0°109.4°
CANCALHALA108.0°109.5°
CALCANHAN108.8°109.5°
CALCANHANA108.8°109.5°
CANCAOCAP113.6°109.5°
CAOCANHAN108.7°109.5°
CAOCANHANA108.7°109.5°
CANCAOHAO108.4°109.4°
CANCAOHAOA108.4°109.5°
CAOCAPCAQ111.2°109.4°
CAPCAOHAO108.4°109.5°
CAPCAOHAOA108.4°109.5°
CAOCAPHAP109.0°109.4°
CAOCAPHAPA109.1°109.4°
CAQCAPHAP109.0°109.5°
CAQCAPHAPA109.0°109.5°
CAPCAQHAQ109.5°109.4°
CAPCAQHAQA109.5°109.5°
CAPCAQHAQB109.5°109.5°
HALCALHALA109.4°109.5°
HNAMNAMHNAA109.5°120.0°
HANCANHANA109.5°109.5°
HAOCAOHAOA109.5°109.5°
HAPCAPHAPA109.5°109.5°
HAQCAQHAQA109.5°109.5°
HAQCAQHAQB109.5°109.5°
HAQACAQHAQB109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABCAACAFHAA180.0°179.7°
CAACABCACHAB180.0°180.0°
CAACABCACCAD1.2°0.1°
CABCAACAFCAE0.1°0.0°
CABCAACAFCAG179.7°180.0°
CAACABCACHAC178.8°180.0°
CAFCAACABCAC1.1°0.0°
CAACAFCAECAD1.3°0.1°
CAACAFCAECAG179.8°179.9°
CAACAFCAECAH178.7°180.0°
CAACAFCAGNAJ178.9°180.0°
CAACAFCAGOAK0.6°0.1°
CAFCAACABHAB178.9°180.0°
CABCACCADHAC180.0°179.9°
CABCACCADCAE0.0°0.0°
CABCACCADNAM178.1°179.9°
CACCABCAAHAA178.8°179.7°
CACCADCAENAM178.0°179.9°
CACCADCAECAF1.2°0.0°
CACCADCAECAH178.8°180.0°
CADCACCABHAB178.8°180.0°
CACCADNAMHNAM180.0°0.0°
CACCADNAMHNAA60.0°180.0°
CADCAECAFCAH180.0°179.9°
CADCAECAFCAG178.5°180.0°
CADCAECAHCAI179.4°180.0°
CAECADCACHAC180.0°180.0°
CADCAECAHHAH0.6°0.1°
CAECADNAMHNAM1.9°180.0°
CAECADNAMHNAA121.9°0.1°
NAMCADCAECAF179.3°180.0°
NAMCADCAECAH0.7°0.1°
NAMCADCACHAC1.9°0.0°
CADNAMHNAMHNAA120.0°179.9°
CAECAFCAGNAJ1.2°0.1°
CAECAFCAGOAK179.2°180.0°
CAFCAECAHCAI0.6°0.1°
CAECAFCAAHAA179.9°179.7°
CAFCAECAHHAH179.4°180.0°
CAHCAECAFCAG1.5°0.1°
CAECAHCAIHAH180.0°179.9°
CAECAHCAINAJ0.5°0.1°
CAECAHCAICAL179.8°180.0°
CAFCAGNAJOAK179.6°179.9°
CAFCAGNAJCAI0.1°0.1°
CAGCAFCAAHAA0.3°0.3°
CAFCAGNAJHNAJ179.9°179.9°
CAGNAJCAICAH0.8°0.1°
CAGNAJCAIHNAJ180.0°180.0°
CAGNAJCAICAL179.8°179.9°
OAKCAGNAJCAI179.7°180.0°
OAKCAGNAJHNAJ0.3°0.0°
CAHCAINAJCAL179.4°180.0°
CAHCAICALCAN18.2°95.0°
CAHCAINAJHNAJ179.2°179.9°
CAHCAICALHAL139.1°145.0°
CAHCAICALHALA102.6°25.0°
NAJCAICALCAN162.4°85.0°
NAJCAICAHHAH179.5°180.0°
NAJCAICALHAL41.6°35.0°
NAJCAICALHALA76.7°155.0°
CAICALCANHAL120.8°120.0°
CAICALCANHALA120.8°120.0°
CAICALCANCAO156.6°180.0°
CALCAICAHHAH0.2°0.0°
CALCAINAJHNAJ0.2°0.1°
CAICALHALHALA117.4°120.0°
CAICALCANHAN83.0°60.0°
CAICALCANHANA36.1°60.0°
CALCANCAOHAN120.4°120.0°
CALCANCAOHANA120.4°120.0°
CALCANCAOCAP62.2°180.0°
CANCALHALHALA117.4°120.0°
CALCANHANHANA118.7°120.0°
CALCANCAOHAO177.2°60.0°
CALCANCAOHAOA58.4°60.0°
CANCAOCAPHAO120.6°119.9°
CANCAOCAPHAOA120.6°120.0°
CANCAOCAPCAQ166.5°180.0°
CAOCANCALHAL35.7°60.0°
CAOCANCALHALA82.6°60.0°
CAOCANHANHANA118.7°120.0°
CANCAOHAOHAOA118.1°120.0°
CANCAOCAPHAP73.3°60.0°
CANCAOCAPHAPA46.2°59.9°
CAOCAPCAQHAP120.2°120.0°
CAOCAPCAQHAPA120.3°120.0°
CAPCAOCANHAN58.3°60.0°
CAPCAOCANHANA177.4°60.0°
CAPCAOHAOHAOA118.1°120.0°
CAOCAPHAPHAPA119.3°119.9°
CAOCAPCAQHAQ180.0°180.0°
CAOCAPCAQHAQA60.0°60.0°
CAOCAPCAQHAQB60.0°60.0°
CAQCAPCAOHAO45.8°60.0°
CAQCAPCAOHAOA72.9°60.0°
CAQCAPHAPHAPA119.2°120.1°
CAPCAQHAQHAQA120.0°120.0°
CAPCAQHAQHAQB120.0°120.0°
CAPCAQHAQAHAQB120.0°120.0°
HAACAACABHAB1.1°0.3°
HABCABCACHAC1.2°0.0°
HALCALCANHAN156.1°180.0°
HALCALCANHANA84.7°60.0°
HALACALCANHAN37.8°60.0°
HALACALCANHANA157.0°180.0°
HANCANCAOHAO62.4°180.0°
HANCANCAOHAOA178.9°60.0°
HANACANCAOHAO56.8°60.0°
HANACANCAOHAOA62.0°180.0°
HAOCAOCAPHAP166.1°179.9°
HAOCAOCAPHAPA74.4°60.0°
HAOACAOCAPHAP47.3°60.0°
HAOACAOCAPHAPA166.8°180.0°
HAPCAPCAQHAQ59.8°60.0°
HAPCAPCAQHAQA179.8°180.0°
HAPCAPCAQHAQB60.2°60.0°
HAPACAPCAQHAQ59.7°60.0°
HAPACAPCAQHAQA60.3°60.0°
HAPACAPCAQHAQB179.7°180.0°
HAQCAQHAQAHAQB120.0°120.1°

222415

PDB entries from 2024-07-10

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