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2XJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACALsing1.53Å1.51Å
CAMCALsing1.53Å1.51Å
CAMCBDsing1.51Å1.52Å
SAVCBDsing1.76Å1.62ÅAromatic
SAVCBEsing1.76Å1.67ÅAromatic
CAHCAIdoub1.38Å1.38ÅAromatic
CAHCAYsing1.40Å1.39ÅAromatic
CBDCBCdoub1.34Å1.34ÅAromatic
CAICBAsing1.39Å1.40ÅAromatic
NAFC2sing1.38Å1.34Å
C2N1doub1.32Å1.33ÅAromatic
C2N3sing1.32Å1.35ÅAromatic
N1C6sing1.33Å1.36ÅAromatic
CBECAYsing1.48Å1.31Å
CBENARdoub1.30Å1.33ÅAromatic
N3C4doub1.33Å1.35ÅAromatic
CAYCAKdoub1.39Å1.39ÅAromatic
CABOASsing1.43Å1.43Å
C6NAEsing1.39Å1.34Å
C6C5doub1.39Å1.38ÅAromatic
C4C5sing1.39Å1.38ÅAromatic
C4SAUsing1.76Å1.83Å
CBAOASsing1.36Å1.37Å
CBACBBdoub1.39Å1.39ÅAromatic
SAUCAOsing1.81Å1.84Å
CBCNARsing1.31Å1.34ÅAromatic
CBCCAOsing1.51Å1.48Å
CAKCBBsing1.38Å1.39ÅAromatic
CBBOATsing1.36Å1.35Å
OATCANsing1.43Å1.43Å
CANCBFsing1.53Å1.52Å
OAGCBFsing1.43Å1.44Å
CADCBFsing1.53Å1.55Å
CBFCACsing1.53Å1.53Å
CACH1sing1.09Å1.10Å
CACH2sing1.09Å1.10Å
CACH3sing1.09Å1.10Å
CADH4sing1.09Å1.10Å
CADH5sing1.09Å1.10Å
CADH6sing1.09Å1.10Å
OAGH7sing0.97Å0.95Å
CANH8sing1.09Å1.10Å
CANH9sing1.09Å1.10Å
CAKH10sing1.08Å1.08Å
CABH11sing1.09Å1.10Å
CABH12sing1.09Å1.10Å
CABH13sing1.09Å1.10Å
CAIH14sing1.08Å1.08Å
CAHH15sing1.08Å1.08Å
CAMH16sing1.09Å1.10Å
CAMH17sing1.09Å1.10Å
CALH18sing1.09Å1.10Å
CALH19sing1.09Å1.10Å
CAAH20sing1.09Å1.10Å
CAAH21sing1.09Å1.10Å
CAAH22sing1.09Å1.10Å
CAOH23sing1.09Å1.10Å
CAOH24sing1.09Å1.10Å
C5H25sing1.08Å1.08Å
NAFH26sing0.97Å1.00Å
NAFH27sing0.97Å1.00Å
NAEH28sing0.97Å1.00Å
NAEH29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACALCAM106.2°109.5°
CAACALH18110.3°109.5°
CAACALH19110.3°109.5°
CALCAAH20109.5°109.5°
CALCAAH21109.5°109.5°
CALCAAH22109.5°109.5°
CALCAMCBD113.5°109.5°
CALCAMH16108.4°109.4°
CALCAMH17108.5°109.5°
CAMCALH18110.3°109.5°
CAMCALH19110.3°109.5°
CAMCBDSAV125.3°125.9°
CAMCBDCBC126.1°125.9°
CBDCAMH16108.5°109.5°
CBDCAMH17108.5°109.5°
CBDSAVCBE93.9°89.8°
SAVCBDCBC108.5°108.2°
SAVCBECAY126.6°125.5°
SAVCBENAR110.7°109.1°
CAICAHCAY120.5°120.0°
CAHCAICBA119.4°120.1°
CAHCAIH14120.3°120.0°
CAICAHH15119.7°119.9°
CAHCAYCBE120.5°120.0°
CAHCAYCAK120.5°119.9°
CAYCAHH15119.7°120.0°
CBDCBCNAR116.4°115.9°
CBDCBCCAO123.6°122.1°
CAICBAOAS124.1°119.9°
CAICBACBB119.5°120.1°
CBACAIH14120.3°119.9°
NAFC2N1119.7°119.1°
NAFC2N3120.0°119.1°
C2NAFH26109.5°120.0°
C2NAFH27109.5°120.0°
N1C2N3120.3°121.7°
C2N1C6118.8°120.8°
C2N3C4123.2°120.8°
N1C6NAE121.0°120.4°
N1C6C5121.2°119.1°
CAYCBENAR122.7°125.4°
CBECAYCAK119.0°120.1°
CBENARCBC110.5°117.0°
N3C4C5116.9°119.1°
N3C4SAU118.5°120.5°
CAYCAKCBB118.7°119.9°
CAYCAKH10120.7°120.1°
CABOASCBA117.5°117.0°
OASCABH11109.5°109.5°
OASCABH12109.4°109.5°
OASCABH13109.5°109.5°
NAEC6C5117.7°120.4°
C6NAEH28109.5°120.0°
C6NAEH29109.5°120.0°
C6C5C4119.5°118.5°
C6C5H25120.3°120.8°
C5C4SAU124.5°120.5°
C4C5H25120.3°120.8°
C4SAUCAO105.6°100.0°
OASCBACBB116.4°120.0°
CBACBBCAK121.4°120.0°
CBACBBOAT114.9°120.0°
SAUCAOCBC103.0°109.5°
SAUCAOH23111.1°109.5°
SAUCAOH24111.1°109.5°
NARCBCCAO120.0°122.0°
CBCCAOH23111.1°109.5°
CBCCAOH24111.1°109.4°
CAKCBBOAT123.7°120.0°
CBBCAKH10120.7°120.0°
CBBOATCAN117.1°117.0°
OATCANCBF102.4°109.5°
OATCANH8111.2°109.5°
OATCANH9111.2°109.5°
CANCBFOAG107.6°109.5°
CANCBFCAD112.3°109.5°
CANCBFCAC109.2°109.5°
CBFCANH8111.2°109.5°
CBFCANH9111.2°109.5°
OAGCBFCAD109.8°109.5°
OAGCBFCAC108.9°109.5°
CBFOAGH7109.5°114.0°
CADCBFCAC109.1°109.5°
CBFCADH4109.5°109.5°
CBFCADH5109.5°109.5°
CBFCADH6109.4°109.5°
CBFCACH1109.5°109.5°
CBFCACH2109.5°109.5°
CBFCACH3109.5°109.5°
H1CACH2109.5°109.4°
H1CACH3109.4°109.5°
H2CACH3109.5°109.5°
H4CADH5109.4°109.4°
H4CADH6109.5°109.4°
H5CADH6109.5°109.4°
H8CANH9109.5°109.5°
H11CABH12109.5°109.5°
H11CABH13109.5°109.4°
H12CABH13109.5°109.5°
H16CAMH17109.5°109.5°
H18CALH19109.5°109.4°
H20CAAH21109.5°109.5°
H20CAAH22109.5°109.5°
H21CAAH22109.5°109.4°
H23CAOH24109.5°109.4°
H26NAFH27109.5°120.0°
H28NAEH29109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACALCAMH18119.5°120.1°
CAACALCAMH19119.5°120.0°
CAACALCAMCBD90.5°180.0°
CAACALCAMH1630.0°60.0°
CAACALCAMH17148.9°60.0°
CAACALH18H19121.5°120.0°
CALCAAH20H21120.0°120.0°
CALCAAH20H22120.0°120.0°
CALCAAH21H22120.0°120.0°
CALCAMCBDH16120.6°120.0°
CALCAMCBDH17120.6°120.0°
CALCAMCBDSAV93.6°90.0°
CALCAMCBDCBC91.2°89.8°
CALCAMH16H17118.2°120.0°
CAMCALH18H19121.5°120.0°
CAMCALCAAH20180.0°60.0°
CAMCALCAAH2160.0°60.0°
CAMCALCAAH2260.0°180.0°
CAMCBDSAVCBC175.9°179.8°
CAMCBDSAVCBE176.7°180.0°
CAMCBDCBCNAR176.2°179.9°
CAMCBDCBCCAO3.6°0.2°
CBDCAMH16H17118.2°120.1°
CBDCAMCALH18150.0°60.0°
CBDCAMCALH1928.9°59.9°
CBDSAVCBECAY179.5°180.0°
CBDSAVCBENAR1.1°0.2°
SAVCBDCBCNAR0.4°0.1°
SAVCBDCBCCAO179.5°179.9°
SAVCBDCAMH1626.9°29.9°
SAVCBDCAMH17145.8°150.0°
SAVCBECAYCAH12.6°0.3°
CBESAVCBDCBC0.8°0.2°
SAVCBECAYNAR179.4°179.7°
SAVCBECAYCAK166.5°180.0°
SAVCBENARCBC1.0°0.2°
CAICAHCAYH15180.0°179.8°
CAHCAICBAH14180.0°180.0°
CAICAHCAYCBE179.8°180.0°
CAICAHCAYCAK1.0°0.2°
CAHCAICBAOAS179.6°180.0°
CAHCAICBACBB0.5°0.0°
CAYCAHCAICBA0.8°0.2°
CAHCAYCBECAK179.1°179.7°
CAHCAYCBENAR168.0°180.0°
CAHCAYCAKCBB0.8°0.0°
CAHCAYCAKH10179.1°180.0°
CAYCAHCAIH14179.1°179.7°
CBDCBCNARCBE0.4°0.1°
CBDCBCCAOSAU79.8°90.0°
CBDCBCNARCAO179.9°179.8°
CBCCBDCAMH16148.3°150.3°
CBCCBDCAMH1729.4°30.2°
CBDCBCCAOH23161.3°149.9°
CBDCBCCAOH2439.1°30.0°
CAICBAOASCAB19.8°0.0°
CAICBAOASCBB179.9°180.0°
CAICBACBBCAK0.3°0.2°
CAICBACBBOAT179.6°180.0°
CBACAICAHH15179.1°180.0°
NAFC2N1N3179.9°179.7°
NAFC2N1C6178.7°180.0°
NAFC2N3C4179.6°179.7°
C2NAFH26H27120.0°179.9°
N1C2N3C40.5°0.0°
C2N1C6NAE179.8°180.0°
C2N1C6C51.1°0.5°
N1C2NAFH260.0°0.1°
N1C2NAFH27120.0°180.0°
N3C2N1C61.4°0.3°
C2N3C4C50.7°0.1°
C2N3C4SAU179.9°179.7°
N3C2NAFH26179.9°179.8°
N3C2NAFH2760.1°0.3°
N1C6NAEC5179.1°179.6°
N1C6C5C40.1°0.4°
N1C6C5H25179.9°179.5°
N1C6NAEH280.0°0.1°
N1C6NAEH29120.0°180.0°
CAYCBENARCBC179.5°180.0°
CBECAYCAKCBB180.0°179.7°
CBECAYCAKH100.0°0.2°
CBECAYCAHH150.2°0.3°
NARCBECAYCAK12.9°0.3°
CBENARCBCCAO179.7°179.8°
N3C4C5C61.0°0.2°
N3C4C5SAU179.4°179.8°
N3C4SAUCAO162.7°0.2°
N3C4C5H25179.0°179.8°
CAYCAKCBBCBA0.5°0.2°
CAYCAKCBBH10180.0°180.0°
CAYCAKCBBOAT179.4°180.0°
CAKCAYCAHH15178.9°180.0°
CABOASCBACBB160.1°180.0°
OASCABH11H12120.0°120.0°
OASCABH11H13120.0°120.0°
OASCABH12H13120.0°120.0°
NAEC6C5C4179.0°180.0°
NAEC6C5H251.0°0.0°
C6NAEH28H29120.0°179.9°
C6C5C4H25180.0°180.0°
C6C5C4SAU179.6°180.0°
C5C6NAEH28179.2°179.5°
C5C6NAEH2959.2°0.4°
C5C4SAUCAO16.7°180.0°
C4SAUCAOCBC128.7°180.0°
C4SAUCAOH23112.4°59.9°
C4SAUCAOH249.7°60.0°
SAUC4C5H250.4°0.0°
OASCBACBBCAK179.8°179.8°
OASCBACBBOAT0.4°0.0°
CBAOASCABH11180.0°60.0°
CBAOASCABH1260.0°60.0°
CBAOASCABH1360.0°180.0°
OASCBACAIH140.4°0.0°
CBACBBCAKOAT179.8°179.7°
CBACBBOATCAN163.2°179.7°
CBACBBCAKH10179.5°179.8°
CBBCBACAIH14179.5°180.0°
SAUCAOCBCNAR100.1°89.8°
SAUCAOCBCH23118.9°120.1°
SAUCAOCBCH24118.9°120.0°
SAUCAOH23H24123.0°120.0°
NARCBCCAOH2318.9°30.2°
NARCBCCAOH24141.0°150.2°
CBCCAOH23H24123.0°119.9°
CAKCBBOATCAN16.9°0.0°
CBBOATCANCBF170.0°180.0°
CBBOATCANH851.1°60.0°
CBBOATCANH971.1°60.0°
OATCBBCAKH100.6°0.1°
OATCANCBFH8118.9°120.0°
OATCANCBFH9118.9°120.0°
OATCANCBFOAG131.5°65.0°
OATCANCBFCAD10.6°175.0°
OATCANCBFCAC110.5°55.0°
OATCANH8H9123.3°120.0°
CANCBFOAGCAD122.5°120.0°
CANCBFOAGCAC118.2°120.0°
CANCBFCADCAC121.1°120.0°
CANCBFCACH1180.0°60.0°
CANCBFCACH260.0°60.0°
CANCBFCACH360.0°180.0°
CANCBFCADH4180.0°180.0°
CANCBFCADH560.0°60.0°
CANCBFCADH660.0°60.0°
CANCBFOAGH7180.0°60.0°
CBFCANH8H9123.3°120.0°
OAGCBFCADCAC119.2°120.0°
OAGCBFCACH162.8°180.0°
OAGCBFCACH257.2°60.0°
OAGCBFCACH3177.2°60.0°
OAGCBFCADH460.4°60.0°
OAGCBFCADH5179.6°60.0°
OAGCBFCADH659.6°180.0°
OAGCBFCANH812.6°175.0°
OAGCBFCANH9109.6°55.0°
CADCBFCACH157.0°60.0°
CADCBFCACH2177.0°180.0°
CADCBFCACH363.0°60.0°
CBFCADH4H5120.0°120.1°
CBFCADH4H6120.0°120.0°
CBFCADH5H6120.0°120.1°
CADCBFOAGH757.5°60.0°
CADCBFCANH8108.3°55.0°
CADCBFCANH9129.4°65.0°
CBFCACH1H2120.0°120.0°
CBFCACH1H3120.0°120.0°
CBFCACH2H3120.0°120.0°
CACCBFCADH458.8°60.0°
CACCBFCADH561.1°180.0°
CACCBFCADH6178.9°60.0°
CACCBFOAGH761.8°180.0°
CACCBFCANH8130.6°65.0°
CACCBFCANH98.4°175.0°
H1CACH2H3120.0°120.0°
H4CADH5H6120.0°119.9°
H11CABH12H13120.0°120.0°
H14CAICAHH150.9°0.0°
H16CAMCALH1889.5°180.0°
H16CAMCALH19149.5°60.1°
H17CAMCALH1829.4°60.0°
H17CAMCALH1991.7°180.0°
H18CALCAAH2060.5°180.0°
H18CALCAAH2159.5°60.0°
H18CALCAAH22179.5°59.9°
H19CALCAAH2060.5°60.0°
H19CALCAAH21179.5°179.9°
H19CALCAAH2259.5°60.0°
H20CAAH21H22120.0°120.0°

222415

PDB entries from 2024-07-10

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