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P3U

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAPCANsing1.53Å1.54Å
CAPNBGsing1.47Å1.49Å
CANNAUsing1.47Å1.48Å
NAUCAOsing1.47Å1.48Å
CAOCAQsing1.53Å1.54Å
CAQNBGsing1.47Å1.49Å
NBGCBBsing1.39Å1.42Å
CBBCAMsing1.39Å1.40ÅAromatic
CBBNASdoub1.32Å1.35ÅAromatic
CAMCAYdoub1.39Å1.40ÅAromatic
NASCAIsing1.32Å1.33ÅAromatic
CAICAJdoub1.38Å1.39ÅAromatic
CAJCAYsing1.40Å1.40ÅAromatic
CAYCAZsing1.48Å1.40Å
CAZCALsing1.39Å1.39ÅAromatic
CAZCAKdoub1.39Å1.39ÅAromatic
CALCAXdoub1.38Å1.39ÅAromatic
CAXCLHsing1.74Å1.73Å
CAXCBEsing1.38Å1.40ÅAromatic
CAKCAWsing1.38Å1.39ÅAromatic
CAWCLGsing1.74Å1.73Å
CAWCBEdoub1.38Å1.41ÅAromatic
CBESBIsing1.76Å1.78Å
SBIOAEdoub1.42Å1.50Å
SBIOAFdoub1.42Å1.50Å
SBINAVsing1.66Å1.64Å
NAVCBDsing1.41Å1.34Å
CBDCBAdoub1.36Å1.38ÅAromatic
CBDCBCsing1.40Å1.39ÅAromatic
CBACAAsing1.51Å1.53Å
CBANBHsing1.36Å1.33ÅAromatic
NBHCADsing1.46Å1.49Å
NBHNATsing1.40Å1.24ÅAromatic
NATCBCdoub1.31Å1.34ÅAromatic
CBCCARsing1.51Å1.53Å
CARCBFsing1.53Å1.53Å
CBFCACsing1.53Å1.53Å
CBFCABsing1.53Å1.53Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
NAUHAUsing1.01Å1.00Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CAMHAMsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
NAVHAVsing0.97Å1.00Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CADHAD1sing1.09Å1.10Å
CADHAD2sing1.09Å1.10Å
CADHAD3sing1.09Å1.10Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CBFHBFsing1.09Å1.10Å
CACHAC1sing1.09Å1.10Å
CACHAC2sing1.09Å1.10Å
CACHAC3sing1.09Å1.10Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANCAPNBG109.1°109.4°
CAPCANNAU110.4°109.3°
CANCAPHAP1109.5°109.5°
CANCAPHAP2109.6°109.5°
CAPCANHAN1109.3°109.5°
CAPCANHAN2109.3°109.5°
CAPNBGCAQ110.3°110.9°
CAPNBGCBB112.0°111.0°
NBGCAPHAP1109.6°109.5°
NBGCAPHAP2109.6°109.5°
CANNAUCAO113.7°110.9°
NAUCANHAN1109.2°109.5°
NAUCANHAN2109.2°109.5°
CANNAUHAU108.4°111.0°
NAUCAOCAQ110.7°109.3°
CAONAUHAU108.4°111.0°
NAUCAOHAO1109.2°109.5°
NAUCAOHAO2109.2°109.5°
CAOCAQNBG109.1°109.4°
CAQCAOHAO1109.2°109.5°
CAQCAOHAO2109.2°109.5°
CAOCAQHAQ1109.5°109.5°
CAOCAQHAQ2109.6°109.5°
CAQNBGCBB113.4°111.0°
NBGCAQHAQ1109.6°109.5°
NBGCAQHAQ2109.5°109.5°
NBGCBBCAM121.3°119.6°
NBGCBBNAS119.4°119.7°
CAMCBBNAS119.3°120.7°
CBBCAMCAY120.1°118.9°
CBBCAMHAM119.9°120.5°
CBBNASCAI122.0°121.9°
CAMCAYCAJ118.3°118.3°
CAMCAYCAZ121.0°120.8°
CAYCAMHAM120.0°120.6°
NASCAICAJ121.0°121.0°
NASCAIHAI119.5°119.6°
CAICAJCAY119.3°119.1°
CAJCAIHAI119.5°119.4°
CAICAJHAJ120.4°120.4°
CAJCAYCAZ120.8°120.8°
CAYCAJHAJ120.3°120.4°
CAYCAZCAL120.3°120.1°
CAYCAZCAK120.7°120.1°
CALCAZCAK119.0°119.8°
CAZCALCAX121.1°119.9°
CAZCALHAL119.5°120.1°
CAZCAKCAW120.7°119.9°
CAZCAKHAK119.6°120.1°
CALCAXCLH117.9°119.9°
CALCAXCBE119.9°120.2°
CAXCALHAL119.5°120.1°
CLHCAXCBE122.2°119.9°
CAXCBECAW119.1°120.2°
CAXCBESBI120.8°119.9°
CAKCAWCLG117.9°119.9°
CAKCAWCBE120.2°120.1°
CAWCAKHAK119.6°120.1°
CLGCAWCBE121.8°119.9°
CAWCBESBI120.1°119.9°
CBESBIOAE111.1°106.4°
CBESBIOAF111.4°106.4°
CBESBINAV107.1°107.2°
OAESBIOAF109.2°123.2°
OAESBINAV109.6°106.4°
OAFSBINAV108.4°106.4°
SBINAVCBD121.2°120.0°
SBINAVHAV106.5°120.0°
NAVCBDCBA128.1°126.1°
NAVCBDCBC127.3°126.0°
CBDNAVHAV106.4°120.0°
CBACBDCBC104.6°107.9°
CBDCBACAA127.4°126.2°
CBDCBANBH107.0°107.6°
CBDCBCNAT106.5°108.4°
CBDCBCCAR128.0°125.8°
CAACBANBH125.6°126.2°
CBACAAHAA1109.5°109.5°
CBACAAHAA2109.4°109.5°
CBACAAHAA3109.5°109.5°
CBANBHCAD125.2°126.1°
CBANBHNAT111.1°107.8°
CADNBHNAT123.7°126.1°
NBHCADHAD1109.5°109.5°
NBHCADHAD2109.5°109.5°
NBHCADHAD3109.5°109.5°
NBHNATCBC110.8°108.4°
NATCBCCAR125.5°125.8°
CBCCARCBF111.9°109.5°
CBCCARHAR1108.8°109.5°
CBCCARHAR2108.8°109.5°
CARCBFCAC110.4°109.5°
CARCBFCAB111.9°109.4°
CBFCARHAR1108.9°109.4°
CBFCARHAR2108.8°109.5°
CARCBFHBF108.1°109.5°
CACCBFCAB110.2°109.5°
CACCBFHBF108.1°109.5°
CBFCACHAC1109.5°109.5°
CBFCACHAC2109.4°109.5°
CBFCACHAC3109.5°109.4°
CABCBFHBF108.1°109.5°
CBFCABHAB1109.5°109.5°
CBFCABHAB2109.5°109.5°
CBFCABHAB3109.5°109.5°
HAP1CAPHAP2109.5°109.5°
HAN1CANHAN2109.5°109.5°
HAO1CAOHAO2109.5°109.4°
HAQ1CAQHAQ2109.5°109.5°
HAA1CAAHAA2109.5°109.4°
HAA1CAAHAA3109.4°109.5°
HAA2CAAHAA3109.5°109.5°
HAD1CADHAD2109.4°109.5°
HAD1CADHAD3109.5°109.5°
HAD2CADHAD3109.5°109.4°
HAR1CARHAR2109.5°109.4°
HAC1CACHAC2109.5°109.5°
HAC1CACHAC3109.4°109.5°
HAC2CACHAC3109.5°109.5°
HAB1CABHAB2109.5°109.4°
HAB1CABHAB3109.5°109.5°
HAB2CABHAB3109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANCAPNBGHAP1119.9°120.0°
CANCAPNBGHAP2120.0°120.0°
CAPCANNAUHAN1120.1°120.0°
CAPCANNAUHAN2120.2°120.0°
CAPCANNAUCAO53.5°59.3°
CANCAPNBGCAQ61.8°59.3°
CANCAPNBGCBB170.9°176.8°
CANCAPHAP1HAP2120.2°120.1°
CAPCANHAN1HAN2119.6°120.1°
CAPCANNAUHAU174.1°176.8°
NBGCAPCANNAU56.6°58.4°
CAPNBGCAQCAO61.4°59.3°
CAPNBGCAQCBB126.5°123.9°
CAPNBGCBBCAM139.0°180.0°
CAPNBGCBBNAS42.2°0.3°
NBGCAPHAP1HAP2120.2°120.0°
NBGCAPCANHAN163.5°61.6°
NBGCAPCANHAN2176.8°178.4°
CAPNBGCAQHAQ1178.7°179.3°
CAPNBGCAQHAQ258.5°60.7°
CANNAUCAOHAU120.6°123.9°
CANNAUCAOCAQ53.3°59.3°
NAUCANCAPHAP163.3°61.6°
NAUCANCAPHAP2176.6°178.3°
NAUCANHAN1HAN2119.6°120.1°
CANNAUCAOHAO166.9°60.6°
CANNAUCAOHAO2173.5°179.3°
NAUCAOCAQHAO1120.2°120.0°
NAUCAOCAQHAO2120.2°120.0°
NAUCAOCAQNBG55.9°58.4°
CAONAUCANHAN166.6°60.6°
CAONAUCANHAN2173.7°179.3°
NAUCAOHAO1HAO2119.4°120.1°
NAUCAOCAQHAQ1175.8°178.4°
NAUCAOCAQHAQ264.0°61.6°
CAOCAQNBGHAQ1119.9°120.0°
CAOCAQNBGHAQ2119.9°120.0°
CAOCAQNBGCBB172.1°176.8°
CAQCAONAUHAU173.9°176.8°
CAQCAOHAO1HAO2119.4°120.0°
CAOCAQHAQ1HAQ2120.2°120.0°
CAQNBGCBBCAM13.4°56.2°
CAQNBGCBBNAS167.7°123.6°
CAQNBGCAPHAP158.1°60.7°
CAQNBGCAPHAP2178.2°179.3°
NBGCAQCAOHAO164.3°61.6°
NBGCAQCAOHAO2176.1°178.4°
NBGCAQHAQ1HAQ2120.2°120.0°
NBGCBBCAMNAS178.8°179.7°
NBGCBBCAMCAY179.7°180.0°
NBGCBBNASCAI179.8°179.9°
CBBNBGCAPHAP169.2°63.2°
CBBNBGCAPHAP251.0°56.8°
CBBNBGCAQHAQ152.2°56.8°
CBBNBGCAQHAQ268.0°63.2°
NBGCBBCAMHAM0.3°0.1°
CBBCAMCAYHAM180.0°180.0°
CAMCBBNASCAI1.4°0.2°
CBBCAMCAYCAJ0.3°0.0°
CBBCAMCAYCAZ179.7°180.0°
NASCBBCAMCAY0.9°0.2°
CBBNASCAICAJ1.2°0.0°
NASCBBCAMHAM179.1°179.8°
CBBNASCAIHAI178.8°180.0°
CAMCAYCAJCAI0.0°0.2°
CAMCAYCAJCAZ179.9°180.0°
CAMCAYCAZCAL14.8°180.0°
CAMCAYCAZCAK165.2°0.3°
CAMCAYCAJHAJ180.0°179.9°
NASCAICAJHAI180.0°180.0°
NASCAICAJCAY0.5°0.2°
NASCAICAJHAJ179.6°179.9°
CAICAJCAYHAJ180.0°179.7°
CAICAJCAYCAZ179.9°179.8°
CAJCAYCAZCAL165.1°0.1°
CAJCAYCAZCAK14.9°179.7°
CAJCAYCAMHAM179.8°180.0°
CAYCAJCAIHAI179.5°179.7°
CAYCAZCALCAK180.0°179.8°
CAYCAZCALCAX179.8°179.9°
CAYCAZCAKCAW180.0°180.0°
CAZCAYCAMHAM0.3°0.0°
CAZCAYCAJHAJ0.1°0.1°
CAYCAZCALHAL0.2°0.1°
CAYCAZCAKHAK0.0°0.0°
CAZCALCAXHAL180.0°179.9°
CAZCALCAXCLH179.9°180.0°
CAZCALCAXCBE0.5°0.1°
CALCAZCAKCAW0.0°0.2°
CALCAZCAKHAK180.0°179.8°
CAKCAZCALCAX0.2°0.2°
CAZCAKCAWHAK180.0°180.0°
CAZCAKCAWCLG180.0°180.0°
CAZCAKCAWCBE0.2°0.1°
CAKCAZCALHAL179.8°179.7°
CALCAXCLHCBE179.5°179.9°
CALCAXCBECAW0.7°0.3°
CALCAXCBESBI178.6°179.9°
CLHCAXCBECAW179.8°179.8°
CLHCAXCBESBI1.9°0.0°
CLHCAXCALHAL0.1°0.1°
CAXCBECAWCAK0.6°0.2°
CAXCBECAWCLG179.7°179.8°
CAXCBECAWSBI177.9°179.8°
CAXCBESBIOAE140.8°161.6°
CAXCBESBIOAF18.8°28.7°
CAXCBESBINAV99.6°84.9°
CBECAXCALHAL179.5°180.0°
CAKCAWCLGCBE179.8°179.9°
CAKCAWCBESBI178.5°180.0°
CLGCAWCBESBI1.7°0.1°
CLGCAWCAKHAK0.0°0.0°
CAWCBESBIOAE41.3°18.6°
CAWCBESBIOAF163.3°151.5°
CAWCBESBINAV78.3°94.9°
CBECAWCAKHAK179.8°179.9°
CBESBIOAEOAF123.3°122.9°
CBESBIOAENAV118.2°114.1°
CBESBIOAFNAV117.6°114.1°
CBESBINAVCBD46.8°66.9°
CBESBINAVHAV74.8°113.0°
OAESBIOAFNAV119.3°123.0°
OAESBINAVCBD167.4°46.6°
OAESBINAVHAV45.8°133.5°
OAFSBINAVCBD73.5°179.5°
OAFSBINAVHAV164.8°0.5°
SBINAVCBDHAV121.6°179.9°
SBINAVCBDCBA93.5°110.2°
SBINAVCBDCBC86.7°69.5°
NAVCBDCBACBC179.9°179.7°
NAVCBDCBACAA0.3°0.1°
NAVCBDCBANBH180.0°179.9°
NAVCBDCBCNAT179.9°179.9°
NAVCBDCBCCAR0.2°0.0°
CBDCBACAANBH179.6°180.0°
CBDCBANBHCAD179.8°180.0°
CBDCBANBHNAT0.0°0.0°
CBACBDCBCNAT0.2°0.4°
CBACBDCBCCAR180.0°179.7°
CBACBDNAVHAV28.2°69.8°
CBDCBACAAHAA190.2°85.1°
CBDCBACAAHAA2149.8°154.9°
CBDCBACAAHAA329.8°34.9°
CBCCBDCBACAA179.8°179.8°
CBCCBDCBANBH0.1°0.2°
CBDCBCNATNBH0.2°0.4°
CBDCBCNATCAR179.8°179.9°
CBDCBCCARCBF85.2°97.0°
CBCCBDNAVHAV151.6°110.6°
CBDCBCCARHAR135.2°143.1°
CBDCBCCARHAR2154.5°23.1°
CAACBANBHCAD0.1°0.0°
CAACBANBHNAT179.7°180.0°
CBACAAHAA1HAA2120.0°120.0°
CBACAAHAA1HAA3120.0°120.0°
CBACAAHAA2HAA3120.0°120.0°
CBANBHCADNAT179.8°180.0°
CBANBHNATCBC0.1°0.3°
NBHCBACAAHAA190.2°94.9°
NBHCBACAAHAA229.8°25.1°
NBHCBACAAHAA3149.8°145.1°
CBANBHCADHAD1179.8°90.0°
CBANBHCADHAD259.8°150.0°
CBANBHCADHAD360.2°30.0°
CADNBHNATCBC180.0°179.7°
NBHCADHAD1HAD2120.0°120.1°
NBHCADHAD1HAD3120.0°120.0°
NBHCADHAD2HAD3120.0°120.0°
NBHNATCBCCAR180.0°179.7°
NATNBHCADHAD10.0°90.0°
NATNBHCADHAD2120.0°30.1°
NATNBHCADHAD3120.0°150.0°
NATCBCCARCBF95.1°82.9°
NATCBCCARHAR1144.6°37.1°
NATCBCCARHAR225.3°157.1°
CBCCARCBFHAR1120.3°120.0°
CBCCARCBFHAR2120.3°120.1°
CBCCARCBFCAC165.5°175.0°
CBCCARCBFCAB71.4°65.0°
CBCCARHAR1HAR2118.9°120.0°
CBCCARCBFHBF47.5°54.9°
CARCBFCACCAB124.1°120.0°
CARCBFCACHBF118.0°120.0°
CARCBFCABHBF118.9°120.0°
CBFCARHAR1HAR2118.9°120.0°
CARCBFCACHAC1180.0°59.9°
CARCBFCACHAC260.0°180.0°
CARCBFCACHAC360.0°60.0°
CARCBFCABHAB1180.0°60.0°
CARCBFCABHAB260.0°180.0°
CARCBFCABHAB360.0°60.0°
CACCBFCABHBF117.9°120.0°
CACCBFCARHAR145.2°55.0°
CACCBFCARHAR274.2°64.9°
CBFCACHAC1HAC2120.0°120.0°
CBFCACHAC1HAC3120.0°119.9°
CBFCACHAC2HAC3120.0°119.9°
CACCBFCABHAB156.8°180.0°
CACCBFCABHAB263.2°60.0°
CACCBFCABHAB3176.8°60.0°
CABCBFCARHAR1168.2°175.0°
CABCBFCARHAR248.9°55.0°
CABCBFCACHAC155.8°60.0°
CABCBFCACHAC2175.9°60.0°
CABCBFCACHAC364.1°180.0°
CBFCABHAB1HAB2120.0°120.0°
CBFCABHAB1HAB3120.0°120.0°
CBFCABHAB2HAB3120.0°120.0°
HAP1CAPCANHAN1176.6°178.5°
HAP1CAPCANHAN256.8°58.4°
HAP2CAPCANHAN156.4°58.4°
HAP2CAPCANHAN263.3°61.7°
HAN1CANNAUHAU54.0°63.2°
HAN2CANNAUHAU65.7°56.8°
HAUNAUCAOHAO153.7°63.2°
HAUNAUCAOHAO265.9°56.8°
HAO1CAOCAQHAQ155.6°58.4°
HAO1CAOCAQHAQ2175.8°178.4°
HAO2CAOCAQHAQ164.0°61.6°
HAO2CAOCAQHAQ256.1°58.4°
HAICAICAJHAJ0.5°0.0°
HAA1CAAHAA2HAA3120.0°120.0°
HAD1CADHAD2HAD3120.0°120.0°
HAR1CARCBFHBF72.8°65.1°
HAR2CARCBFHBF167.8°175.0°
HBFCBFCACHAC162.0°180.0°
HBFCBFCACHAC258.0°60.0°
HBFCBFCACHAC3178.0°60.0°
HBFCBFCABHAB161.1°60.0°
HBFCBFCABHAB2178.9°60.0°
HBFCBFCABHAB358.9°180.0°
HAC1CACHAC2HAC3120.0°120.1°
HAB1CABHAB2HAB3120.0°120.0°

223532

PDB entries from 2024-08-07

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