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SummaryGeometryRelated PDB entries

XT3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CADCAFdoub1.38Å1.37ÅAromatic
CADCAEsing1.39Å1.37ÅAromatic
CAFCAWsing1.40Å1.37ÅAromatic
CAECAGdoub1.38Å1.38ÅAromatic
CAWCACsing1.43Å1.36Å
CAWCAZdoub1.40Å1.38ÅAromatic
CAGCAZsing1.39Å1.35ÅAromatic
CACNAAtrip1.14Å1.05Å
CAZOATsing1.36Å1.31Å
OABCAUsing1.36Å1.34Å
OATCAYsing1.36Å1.38Å
CAUCAYdoub1.39Å1.41ÅAromatic
CAUCAJsing1.39Å1.37ÅAromatic
CAOCBAsing1.53Å1.49Å
CAOCAMsing1.53Å1.49Å
CBACAPsing1.53Å1.54Å
CBACAXsing1.51Å1.56Å
CAYCAIsing1.39Å1.37ÅAromatic
CAJCAVdoub1.38Å1.39ÅAromatic
CAPCANsing1.53Å1.50Å
CAXCAKdoub1.35Å1.32ÅAromatic
CAXNARsing1.34Å1.33ÅAromatic
CAKNBBsing1.35Å1.33ÅAromatic
CANCALsing1.53Å1.49Å
CAICAHdoub1.38Å1.37ÅAromatic
CAMCALsing1.53Å1.52Å
CAVCAHsing1.38Å1.38ÅAromatic
CAVCAQsing1.51Å1.38Å
NARNASdoub1.29Å1.31ÅAromatic
NBBNASsing1.29Å1.34ÅAromatic
NBBCAQsing1.46Å1.54Å
CAFH1sing1.08Å1.08Å
CADH2sing1.08Å1.08Å
CAEH3sing1.08Å1.08Å
CAGH4sing1.08Å1.08Å
CAJH5sing1.08Å1.08Å
OABH6sing0.97Å0.95Å
CAIH7sing1.08Å1.08Å
CAHH8sing1.08Å1.08Å
CAQH9sing1.09Å1.10Å
CAQH10sing1.09Å1.10Å
CAKH11sing1.08Å1.08Å
CBAH12sing1.09Å1.10Å
CAOH13sing1.09Å1.10Å
CAOH14sing1.09Å1.10Å
CAMH15sing1.09Å1.10Å
CAMH16sing1.09Å1.10Å
CALH17sing1.09Å1.10Å
CALH18sing1.09Å1.10Å
CANH19sing1.09Å1.10Å
CANH20sing1.09Å1.10Å
CAPH21sing1.09Å1.10Å
CAPH22sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
CAFCADCAE118.2°120.3°
CADCAFCAW120.3°119.9°
CADCAFH1119.8°120.0°
CAFCADH2120.9°119.9°
CADCAECAG122.1°120.4°
CAECADH2120.9°119.8°
CADCAEH3118.9°119.8°
CAFCAWCAC116.8°120.2°
CAFCAWCAZ119.9°119.6°
CAWCAFH1119.8°120.1°
CAECAGCAZ118.8°120.1°
CAGCAEH3119.0°119.7°
CAECAGH4120.6°120.0°
CACCAWCAZ123.3°120.2°
CAWCACNAA179.9°179.9°
CAWCAZCAG120.7°119.7°
CAWCAZOAT116.7°120.2°
CAGCAZOAT122.6°120.2°
CAZCAGH4120.6°119.9°
CAZOATCAY119.9°118.0°
OABCAUCAY117.0°120.1°
OABCAUCAJ122.1°120.1°
CAUOABH6109.5°114.0°
OATCAYCAU121.3°120.1°
OATCAYCAI118.8°120.1°
CAYCAUCAJ120.9°119.8°
CAUCAYCAI119.8°119.9°
CAUCAJCAV118.6°120.0°
CAUCAJH5120.7°119.9°
CBACAOCAM115.1°109.5°
CAOCBACAP110.1°109.5°
CAOCBACAX110.4°109.4°
CAOCBAH12108.4°109.5°
CBACAOH13108.0°109.5°
CBACAOH14108.1°109.5°
CAOCAMCAL109.4°109.5°
CAMCAOH13108.0°109.4°
CAMCAOH14108.0°109.5°
CAOCAMH15109.5°109.5°
CAOCAMH16109.5°109.4°
CAPCBACAX112.4°109.5°
CBACAPCAN113.1°109.5°
CAPCBAH12107.8°109.5°
CBACAPH21108.6°109.5°
CBACAPH22108.6°109.4°
CBACAXCAK123.9°126.7°
CBACAXNAR127.4°126.7°
CAXCBAH12107.6°109.4°
CAYCAICAH118.5°120.0°
CAYCAIH7120.8°120.0°
CAJCAVCAH119.5°120.1°
CAJCAVCAQ125.1°119.9°
CAVCAJH5120.7°120.0°
CAPCANCAL105.6°109.5°
CAPCANH19110.4°109.5°
CAPCANH20110.4°109.4°
CANCAPH21108.6°109.5°
CANCAPH22108.6°109.5°
CAKCAXNAR108.7°106.5°
CAXCAKNBB108.0°106.2°
CAXCAKH11126.0°126.9°
CAXNARNAS107.3°108.9°
CAKNBBNAS106.7°108.2°
CAKNBBCAQ121.7°125.9°
NBBCAKH11126.0°126.9°
CANCALCAM110.3°109.5°
CANCALH17109.3°109.5°
CANCALH18109.3°109.4°
CALCANH19110.4°109.5°
CALCANH20110.4°109.5°
CAICAHCAV122.6°120.1°
CAHCAIH7120.7°120.0°
CAICAHH8118.7°119.9°
CALCAMH15109.5°109.5°
CALCAMH16109.5°109.4°
CAMCALH17109.3°109.5°
CAMCALH18109.3°109.5°
CAHCAVCAQ115.4°119.9°
CAVCAHH8118.7°119.9°
CAVCAQNBB109.5°109.5°
CAVCAQH9109.4°109.5°
CAVCAQH10109.4°109.5°
NARNASNBB109.3°110.2°
NASNBBCAQ131.6°125.9°
NBBCAQH9109.5°109.5°
NBBCAQH10109.5°109.5°
H9CAQH10109.5°109.4°
H13CAOH14109.4°109.5°
H15CAMH16109.5°109.5°
H17CALH18109.5°109.5°
H19CANH20109.5°109.5°
H21CAPH22109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
CAFCADCAEH2180.0°179.9°
CADCAFCAWH1180.0°180.0°
CAFCADCAECAG1.2°0.1°
CADCAFCAWCAC179.9°180.0°
CADCAFCAWCAZ0.0°0.2°
CAFCADCAEH3178.8°180.0°
CAECADCAFCAW0.6°0.1°
CADCAECAGH3180.0°180.0°
CADCAECAGCAZ1.3°0.2°
CAECADCAFH1179.4°179.9°
CADCAECAGH4178.7°179.9°
CAFCAWCACCAZ179.9°179.8°
CAFCAWCAZCAG0.1°0.5°
CAFCAWCACNAA120.0°107.3°
CAFCAWCAZOAT178.9°179.7°
CAWCAFCADH2179.5°180.0°
CAECAGCAZCAW0.7°0.5°
CAECAGCAZH4180.0°179.7°
CAECAGCAZOAT179.4°179.7°
CAGCAECADH2178.8°180.0°
CACCAWCAZCAG179.8°179.7°
CACCAWCAZOAT1.0°0.1°
CACCAWCAFH10.1°0.0°
CAWCAZCAGOAT178.7°179.7°
CAZCAWCACNAA59.9°72.5°
CAWCAZOATCAY176.4°175.0°
CAZCAWCAFH1179.9°179.8°
CAWCAZCAGH4179.3°179.8°
CAGCAZOATCAY2.4°5.3°
CAZCAGCAEH3178.7°179.7°
CAZOATCAYCAU79.5°85.9°
CAZOATCAYCAI103.3°94.4°
OATCAZCAGH40.5°0.0°
OABCAUCAYOAT2.1°0.1°
OABCAUCAYCAJ178.8°180.0°
OABCAUCAYCAI179.3°179.7°
OABCAUCAJCAV179.3°180.0°
OABCAUCAJH50.7°0.0°
OATCAYCAUCAI177.1°179.7°
OATCAYCAUCAJ179.1°179.9°
OATCAYCAICAH178.6°179.9°
OATCAYCAIH71.4°0.0°
CAYCAUCAJCAV0.5°0.0°
CAUCAYCAICAH1.4°0.3°
CAYCAUCAJH5179.4°180.0°
CAYCAUOABH6180.0°90.0°
CAUCAYCAIH7178.6°179.7°
CAJCAUCAYCAI1.9°0.3°
CAUCAJCAVH5180.0°179.9°
CAUCAJCAVCAH1.2°0.3°
CAUCAJCAVCAQ179.5°180.0°
CAJCAUOABH61.2°90.0°
CBACAOCAMH13120.8°120.0°
CBACAOCAMH14120.9°120.0°
CAOCBACAPCAX123.6°120.0°
CAOCBACAPH12118.0°120.0°
CAOCBACAXH12118.1°120.0°
CAOCBACAPCAN17.4°60.0°
CAOCBACAXCAK169.3°35.1°
CAOCBACAXNAR8.5°145.4°
CBACAOCAMCAL28.5°60.0°
CBACAOH13H14117.4°120.0°
CBACAOCAMH1591.5°180.0°
CBACAOCAMH16148.5°60.0°
CAOCBACAPH21103.1°179.9°
CAOCBACAPH22137.9°60.0°
CAMCAOCBACAP56.7°60.0°
CAMCAOCBACAX68.0°180.0°
CAOCAMCALCAN36.8°60.0°
CAOCAMCALH15120.0°120.1°
CAOCAMCALH16120.0°120.0°
CAMCAOCBAH12174.4°60.1°
CAMCAOH13H14117.4°120.0°
CAOCAMH15H16120.0°120.0°
CAOCAMCALH17156.9°60.0°
CAOCAMCALH1883.3°180.0°
CAPCBACAXH12118.5°120.0°
CBACAPCANH21120.5°120.0°
CBACAPCANH22120.5°120.0°
CAPCBACAXCAK67.3°85.0°
CAPCBACAXNAR114.9°94.6°
CBACAPCANCAL43.2°60.0°
CAPCBACAOH13177.6°60.0°
CAPCBACAOH1464.1°180.0°
CBACAPCANH1976.2°180.0°
CBACAPCANH20162.6°60.0°
CBACAPH21H22118.4°119.9°
CAXCBACAPCAN106.1°180.0°
CBACAXCAKNAR178.1°179.6°
CBACAXCAKNBB179.8°179.9°
CBACAXNARNAS179.9°179.9°
CBACAXCAKH110.1°0.1°
CAXCBACAOH1352.9°60.1°
CAXCBACAOH14171.2°60.0°
CAXCBACAPH21133.3°59.9°
CAXCBACAPH2214.4°60.0°
CAYCAICAHH7180.0°179.9°
CAYCAICAHCAV0.4°0.0°
CAYCAICAHH8179.6°180.0°
CAJCAVCAHCAI1.8°0.3°
CAJCAVCAHCAQ178.5°179.7°
CAJCAVCAQNBB100.9°90.0°
CAJCAVCAHH8178.3°179.7°
CAJCAVCAQH919.1°150.0°
CAJCAVCAQH10139.1°30.0°
CAPCANCALH19119.4°120.0°
CAPCANCALH20119.4°119.9°
CAPCANCALCAM74.2°60.0°
CANCAPCBAH12135.4°60.0°
CAPCANCALH17165.7°60.0°
CAPCANCALH1846.0°180.0°
CAPCANH19H20121.8°120.0°
CANCAPH21H22118.4°120.0°
CAXCAKNBBH11180.0°180.0°
CAKCAXNARNAS1.9°0.5°
CAXCAKNBBNAS0.9°0.0°
CAXCAKNBBCAQ178.9°179.7°
CAKCAXCBAH1251.2°155.0°
NARCAXCAKNBB1.7°0.3°
CAXNARNASNBB1.3°0.5°
NARCAXCAKH11178.3°179.8°
NARCAXCBAH12126.6°25.4°
CAKNBBCAQCAV90.9°125.3°
CAKNBBNASNAR0.3°0.3°
CAKNBBNASCAQ179.7°179.7°
CAKNBBCAQH929.1°5.3°
CAKNBBCAQH10149.2°114.7°
CANCALCAMH17120.1°120.0°
CANCALCAMH18120.1°120.0°
CANCALCAMH15156.8°179.9°
CANCALCAMH1683.2°60.0°
CANCALH17H18119.6°119.9°
CALCANH19H20121.8°120.0°
CALCANCAPH21163.7°180.0°
CALCANCAPH2277.3°60.0°
CAICAHCAVH8180.0°180.0°
CAICAHCAVCAQ179.8°180.0°
CALCAMCAOH13149.3°60.0°
CALCAMCAOH1492.4°180.0°
CALCAMH15H16120.1°119.9°
CAMCALH17H18119.6°120.1°
CAMCALCANH1945.2°180.0°
CAMCALCANH20166.5°60.0°
CAHCAVCAQNBB80.7°89.7°
CAHCAVCAJH5178.8°179.8°
CAVCAHCAIH7179.6°180.0°
CAHCAVCAQH9159.3°30.3°
CAHCAVCAQH1039.3°150.2°
CAVCAQNBBNAS89.5°55.1°
CAVCAQNBBH9120.0°120.0°
CAVCAQNBBH10120.0°120.0°
CAQCAVCAJH50.5°0.0°
CAQCAVCAHH80.2°0.0°
CAVCAQH9H10120.0°120.0°
NARNASNBBCAQ180.0°180.0°
NASNBBCAQH9150.5°175.1°
NASNBBCAQH1030.5°65.0°
NASNBBCAKH11179.1°180.0°
NBBCAQH9H10120.0°120.0°
CAQNBBCAKH111.1°0.3°
H1CAFCADH20.6°0.0°
H2CADCAEH31.2°0.1°
H3CAECAGH41.3°0.0°
H7CAICAHH80.4°0.1°
H12CBACAOH1364.8°180.0°
H12CBACAOH1453.5°60.0°
H12CBACAPH2114.9°60.1°
H12CBACAPH22104.1°180.0°
H13CAOCAMH1529.3°60.1°
H13CAOCAMH1690.7°179.9°
H14CAOCAMH15147.6°60.0°
H14CAOCAMH1627.6°60.0°
H15CAMCALH1783.1°60.1°
H15CAMCALH1836.6°60.0°
H16CAMCALH1736.9°180.0°
H16CAMCALH18156.7°60.0°
H17CALCANH1974.9°60.0°
H17CALCANH2046.3°180.0°
H18CALCANH19165.4°60.0°
H18CALCANH2073.4°60.1°
H19CANCAPH2144.4°60.0°
H19CANCAPH22163.3°60.0°
H20CANCAPH2176.9°60.1°
H20CANCAPH2242.1°180.0°

221051

PDB entries from 2024-06-12

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