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3JQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBCAQsing1.52Å1.53Å
CBCAsing1.53Å1.55Å
OADSBNdoub1.42Å1.50Å
CABOAYsing1.43Å1.43Å
OAYCBFsing1.36Å1.37Å
OAESBNdoub1.42Å1.48Å
CAQCATsing1.52Å1.47Å
CANsing1.46Å1.48Å
CACsing1.50Å1.45Å
OAXCAAsing1.43Å1.42Å
OAXCBEsing1.36Å1.36Å
SBNNsing1.66Å1.65Å
SBNCBGsing1.76Å1.74Å
OCdoub1.22Å1.24Å
CBFCBEdoub1.39Å1.39ÅAromatic
CBFCAMsing1.39Å1.37ÅAromatic
CATCBKsing1.52Å1.53Å
CBECAKsing1.39Å1.41ÅAromatic
NCBKsing1.46Å1.50Å
CNBLsing1.34Å1.36Å
CAMCBDdoub1.39Å1.40ÅAromatic
CAKCAJdoub1.38Å1.39ÅAromatic
CBKCBJsing1.52Å1.54Å
CBGCANdoub1.38Å1.39ÅAromatic
CBGCAOsing1.38Å1.38ÅAromatic
CANCBBsing1.38Å1.39ÅAromatic
CBDCAJsing1.39Å1.41ÅAromatic
CBDOAZsing1.36Å1.36Å
NBLCAVsing1.48Å1.47Å
NBLCAUsing1.46Å1.48Å
CAOCBCdoub1.38Å1.39ÅAromatic
OAZCARsing1.43Å1.44Å
CBJCAUsing1.52Å1.55Å
CBJCBHsing1.53Å1.55Å
CAVCARsing1.53Å1.53Å
CBBCLBsing1.74Å1.70Å
CBBCALdoub1.38Å1.38ÅAromatic
CBCCALsing1.38Å1.39ÅAromatic
CBCCLAsing1.74Å1.70Å
CBHOAGsing1.43Å1.42Å
CBHCAPsing1.53Å1.51Å
CAPOAFsing1.43Å1.41Å
CABH1sing1.09Å1.10Å
CABH2sing1.09Å1.10Å
CABH3sing1.09Å1.10Å
CAMH4sing1.08Å1.08Å
CAAH5sing1.09Å1.10Å
CAAH6sing1.09Å1.10Å
CAAH7sing1.09Å1.10Å
CAKH8sing1.08Å1.08Å
CAJH9sing1.08Å1.08Å
CARH10sing1.09Å1.10Å
CARH11sing1.09Å1.10Å
CAVH12sing1.09Å1.10Å
CAVH13sing1.09Å1.10Å
CAUH14sing1.10Å1.10Å
CAUH15sing1.09Å1.10Å
CBJH16sing1.10Å1.10Å
CBHH17sing1.09Å1.10Å
OAGH18sing0.97Å0.95Å
CAPH19sing1.09Å1.10Å
CAPH20sing1.09Å1.10Å
OAFH21sing0.97Å0.95Å
CBKH22sing1.09Å1.10Å
CATH23sing1.09Å1.10Å
CATH24sing1.09Å1.10Å
CAQH25sing1.09Å1.10Å
CAQH26sing1.09Å1.10Å
CBH27sing1.10Å1.10Å
CBH28sing1.09Å1.10Å
CAH29sing1.10Å1.10Å
CANH30sing1.08Å1.08Å
CALH31sing1.08Å1.08Å
CAOH32sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAQCBCA111.8°110.9°
CBCAQCAT109.6°112.2°
CBCAQH25109.4°109.0°
CBCAQH26109.4°109.0°
CAQCBH27108.9°108.6°
CAQCBH28108.9°110.0°
CBCAN110.1°109.7°
CBCAC108.1°109.4°
CACBH27108.9°108.7°
CACBH28108.9°110.3°
CBCAH29107.3°109.2°
OADSBNOAE118.6°123.1°
OADSBNN107.9°106.4°
OADSBNCBG107.6°106.4°
CABOAYCBF116.6°117.0°
OAYCABH1109.5°109.5°
OAYCABH2109.5°109.4°
OAYCABH3109.5°109.5°
OAYCBFCBE116.2°120.1°
OAYCBFCAM123.1°120.1°
OAESBNN112.0°106.4°
OAESBNCBG106.8°106.4°
CAQCATCBK113.8°111.3°
CAQCATH23108.4°109.0°
CAQCATH24108.4°109.3°
CATCAQH25109.4°109.0°
CATCAQH26109.4°108.9°
NCAC114.2°110.0°
CANSBN118.2°119.9°
CANCBK115.9°120.2°
NCAH29108.2°109.1°
CACO116.5°119.0°
CACNBL125.1°122.7°
CCAH29108.7°109.4°
CAAOAXCBE119.5°117.0°
OAXCAAH5109.5°109.5°
OAXCAAH6109.5°109.4°
OAXCAAH7109.5°109.5°
OAXCBECBF115.6°120.0°
OAXCBECAK124.5°120.0°
NSBNCBG102.6°107.3°
SBNNCBK115.9°119.9°
SBNCBGCAN118.6°120.0°
SBNCBGCAO122.3°120.0°
OCNBL118.2°118.3°
CBECBFCAM120.7°119.9°
CBFCBECAK119.8°120.0°
CBFCAMCBD120.3°120.0°
CBFCAMH4119.8°120.0°
CATCBKN111.8°110.8°
CATCBKCBJ113.4°111.4°
CATCBKH22107.4°107.4°
CBKCATH23108.4°108.9°
CBKCATH24108.4°109.3°
CBECAKCAJ120.0°120.0°
CBECAKH8120.0°120.1°
NCBKCBJ109.1°111.9°
NCBKH22107.7°107.6°
CNBLCAV120.3°117.6°
CNBLCAU124.0°124.0°
CAMCBDCAJ119.8°120.0°
CAMCBDOAZ116.0°120.0°
CBDCAMH4119.8°120.1°
CAKCAJCBD119.4°120.1°
CAJCAKH8120.0°119.9°
CAKCAJH9120.3°120.0°
CBKCBJCAU110.4°111.0°
CBKCBJCBH109.6°109.8°
CBKCBJH16107.8°108.2°
CBJCBKH22107.2°107.6°
CANCBGCAO119.1°120.0°
CBGCANCBB120.3°120.0°
CBGCANH30119.9°120.0°
CBGCAOCBC120.4°120.0°
CBGCAOH32119.8°120.0°
CANCBBCLB120.0°120.0°
CANCBBCAL120.7°120.0°
CBBCANH30119.8°120.0°
CAJCBDOAZ124.2°120.0°
CBDCAJH9120.3°119.9°
CBDOAZCAR120.0°117.0°
CAVNBLCAU115.4°118.4°
NBLCAVCAR112.1°109.5°
NBLCAVH12108.8°109.5°
NBLCAVH13108.8°109.4°
NBLCAUCBJ110.6°112.1°
NBLCAUH14109.2°108.5°
NBLCAUH15109.2°110.3°
CAOCBCCAL120.5°120.0°
CAOCBCCLA120.2°120.0°
CBCCAOH32119.8°120.0°
OAZCARCAV112.2°109.4°
OAZCARH10108.8°109.4°
OAZCARH11108.8°109.5°
CAUCBJCBH113.5°110.8°
CBJCAUH14109.2°108.5°
CBJCAUH15109.2°110.0°
CAUCBJH16107.7°108.6°
CBJCBHOAG106.5°109.5°
CBJCBHCAP109.9°109.5°
CBHCBJH16107.6°108.3°
CBJCBHH17109.2°109.5°
CAVCARH10108.8°109.5°
CAVCARH11108.8°109.5°
CARCAVH12108.8°109.5°
CARCAVH13108.8°109.5°
CLBCBBCAL119.3°120.0°
CBBCALCBC119.1°120.0°
CBBCALH31120.4°120.0°
CALCBCCLA119.4°120.0°
CBCCALH31120.5°120.0°
OAGCBHCAP110.1°109.4°
OAGCBHH17111.2°109.5°
CBHOAGH18109.5°114.0°
CBHCAPOAF106.7°109.5°
CAPCBHH17109.9°109.4°
CBHCAPH19110.2°109.5°
CBHCAPH20110.1°109.4°
OAFCAPH19110.2°109.5°
OAFCAPH20110.2°109.5°
CAPOAFH21109.5°114.0°
H1CABH2109.4°109.5°
H1CABH3109.4°109.5°
H2CABH3109.5°109.5°
H5CAAH6109.5°109.4°
H5CAAH7109.5°109.5°
H6CAAH7109.4°109.5°
H10CARH11109.5°109.5°
H12CAVH13109.5°109.4°
H14CAUH15109.5°107.3°
H19CAPH20109.5°109.5°
H23CATH24109.5°108.9°
H25CAQH26109.5°108.6°
H27CBH28109.5°108.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAQCBCAH27120.3°119.3°
CAQCBCAH28120.3°122.1°
CBCAQCATH25120.0°120.9°
CBCAQCATH26120.0°120.8°
CAQCBCAN53.9°17.3°
CAQCBCAC71.5°138.1°
CBCAQCATCBK55.7°46.8°
CBCAQCATH23176.3°167.0°
CBCAQCATH2464.9°74.0°
CBCAQH25H26119.9°118.6°
CAQCBH27H28118.9°119.4°
CAQCBCAH29171.4°102.2°
CACBCAQCAT57.4°61.0°
CBCANC121.8°120.4°
CBCANH29117.0°119.6°
CBCACH29116.2°119.6°
CBCANSBN94.7°138.6°
CBCACO61.9°118.7°
CBCANCBK49.6°41.2°
CBCACNBL122.5°61.1°
CACBCAQH2562.6°59.8°
CACBCAQH26177.4°178.2°
CACBH27H28119.0°119.9°
OADSBNOAEN126.8°122.9°
OADSBNOAECBG121.6°122.9°
OADSBNNCA15.1°164.3°
OADSBNNCBG113.4°113.6°
OADSBNNCBK159.5°15.6°
OADSBNCBGCAN37.0°16.2°
OADSBNCBGCAO145.3°163.6°
CABOAYCBFCBE175.8°175.0°
CABOAYCBFCAM1.4°5.3°
OAYCABH1H2120.0°120.0°
OAYCABH1H3120.0°120.0°
OAYCABH2H3120.0°120.0°
OAYCBFCBEOAX2.2°0.1°
OAYCBFCBECAM177.3°179.7°
OAYCBFCBECAK179.6°180.0°
OAYCBFCAMCBD178.5°180.0°
CBFOAYCABH1180.0°64.8°
CBFOAYCABH260.0°55.2°
CBFOAYCABH360.0°175.2°
OAYCBFCAMH41.5°0.1°
OAESBNNCA117.2°31.4°
OAESBNNCBG114.2°113.6°
OAESBNNCBK27.1°148.5°
OAESBNCBGCAN165.4°149.0°
OAESBNCBGCAO16.9°30.8°
CAQCATCBKH23120.6°120.2°
CAQCATCBKH24120.6°120.9°
CAQCATCBKN50.5°7.6°
CAQCATCBKCBJ73.3°117.7°
CAQCATCBKH22168.5°124.7°
CAQCATH23H24118.0°119.2°
CATCAQH25H26120.0°118.6°
CATCAQCBH2763.0°179.5°
CATCAQCBH28177.7°61.3°
NCACH29120.9°119.8°
CANSBNCBK144.3°179.9°
CANSBNCBG128.6°82.2°
NCACO175.2°120.7°
CANCBKCAT47.7°55.5°
NCACNBL0.4°59.5°
CANCBKCBJ78.5°69.5°
CANCBKH22165.5°172.6°
NCACBH2766.5°136.6°
NCACBH28174.2°104.9°
CCANSBN143.5°100.9°
CACONBL175.9°179.8°
CCANCBK72.2°79.2°
CACNBLCAV177.3°178.7°
CACNBLCAU3.0°0.3°
CCACBH27168.1°102.6°
CCACBH2848.8°15.9°
CAAOAXCBECBF178.9°180.0°
CAAOAXCBECAK3.0°0.0°
OAXCAAH5H6120.0°119.9°
OAXCAAH5H7120.0°120.1°
OAXCAAH6H7120.0°120.0°
OAXCBECBFCAK178.2°180.0°
OAXCBECBFCAM179.5°179.8°
OAXCBECAKCAJ179.7°179.9°
CBEOAXCAAH5180.0°180.0°
CBEOAXCAAH660.0°60.0°
CBEOAXCAAH760.0°59.9°
OAXCBECAKH80.3°0.0°
SBNNCBKCAT97.4°124.4°
SBNNCBKCBJ136.3°110.6°
NSBNCBGCAN76.7°97.4°
NSBNCBGCAO101.0°82.8°
SBNNCBKH2220.3°7.3°
SBNNCAH2922.3°19.1°
CBGSBNNCBK87.1°97.9°
SBNCBGCANCAO177.8°179.8°
SBNCBGCANCBB177.9°179.9°
SBNCBGCAOCBC178.8°179.7°
SBNCBGCANH302.2°0.0°
SBNCBGCAOH321.2°0.0°
OCNBLCAV7.2°1.1°
OCNBLCAU178.5°179.9°
OCCAH2954.3°0.9°
CBECBFCAMCBD1.3°0.3°
CBFCBECAKCAJ1.7°0.0°
CBECBFCAMH4178.7°179.8°
CBFCBECAKH8178.3°180.0°
CAMCBFCBECAK2.3°0.3°
CBFCAMCBDH4180.0°179.9°
CBFCAMCBDCAJ0.2°0.0°
CBFCAMCBDOAZ180.0°180.0°
CATCBKNCBJ126.2°125.0°
CATCBKNH22117.7°117.1°
CATCBKCBJH22118.3°117.4°
CATCBKCBJCAU133.2°58.5°
CATCBKCBJCBH101.1°178.7°
CATCBKCBJH1615.8°60.6°
CBKCATH23H24118.1°119.2°
CBKCATCAQH2564.3°74.0°
CBKCATCAQH26175.7°167.6°
CBECAKCAJH8180.0°179.9°
CBECAKCAJCBD0.2°0.3°
CBECAKCAJH9179.8°180.0°
NCBKCBJH22116.4°117.9°
NCBKCBJCAU7.9°66.2°
NCBKCBJCBH133.6°56.7°
NCBKCBJH16109.5°174.7°
NCBKCATH23171.1°112.7°
NCBKCATH2470.1°128.4°
CBKNCAH29166.6°160.8°
CNBLCAVCAU174.8°179.1°
CNBLCAUCBJ61.5°64.7°
CNBLCAVCAR106.9°90.3°
CNBLCAVH1213.5°29.7°
CNBLCAVH13132.7°149.6°
CNBLCAUH1458.6°175.5°
CNBLCAUH15178.3°58.2°
NBLCCAH29121.3°179.3°
CAMCBDCAJCAK0.7°0.3°
CAMCBDCAJOAZ179.8°180.0°
CAMCBDOAZCAR171.7°174.7°
CAMCBDCAJH9179.2°180.0°
CAKCAJCBDH9180.0°179.7°
CAKCAJCBDOAZ179.4°179.7°
CBKCBJCAUNBL79.6°81.4°
CBKCBJCAUCBH123.6°122.3°
CBKCBJCAUH16117.4°118.9°
CBKCBJCBHH16116.9°118.0°
CBKCBJCBHOAG69.2°71.0°
CBKCBJCBHCAP171.6°169.1°
CBKCBJCAUH1440.6°158.8°
CBKCBJCAUH15160.3°41.7°
CBKCBJCBHH1751.0°49.1°
CBJCBKCATH2347.3°122.1°
CBJCBKCATH24166.1°3.2°
CBGCANCBBH30180.0°180.0°
CANCBGCAOCBC1.1°0.5°
CBGCANCBBCLB179.9°180.0°
CBGCANCBBCAL1.2°0.0°
CANCBGCAOH32178.9°179.8°
CAOCBGCANCBB0.0°0.3°
CBGCAOCBCH32180.0°179.7°
CBGCAOCBCCAL1.0°0.5°
CBGCAOCBCCLA179.5°179.7°
CAOCBGCANH30180.0°179.8°
CANCBBCLBCAL178.9°180.0°
CANCBBCALCBC1.3°0.0°
CANCBBCALH31178.7°180.0°
CAJCBDOAZCAR8.5°5.3°
CAJCBDCAMH4179.8°179.9°
CBDCAJCAKH8179.8°179.8°
CBDOAZCARCAV81.9°175.2°
OAZCBDCAMH40.0°0.1°
OAZCBDCAJH90.6°0.0°
CBDOAZCARH10157.7°64.8°
CBDOAZCARH1138.5°55.2°
NBLCAVCAROAZ66.4°65.2°
CAVNBLCAUCBJ113.1°116.3°
NBLCAVCARH12120.4°120.0°
NBLCAVCARH13120.4°120.0°
NBLCAVCARH1054.0°54.8°
NBLCAVCARH11173.2°174.8°
NBLCAVH12H13118.8°119.9°
CAVNBLCAUH14126.8°3.5°
CAVNBLCAUH157.1°120.8°
NBLCAUCBJH14120.2°119.8°
NBLCAUCBJH15120.2°123.1°
NBLCAUCBJCBH156.9°40.8°
CAUNBLCAVCAR78.3°88.7°
CAUNBLCAVH12161.3°151.3°
CAUNBLCAVH1342.1°31.3°
NBLCAUH14H15119.5°119.2°
NBLCAUCBJH1637.8°159.7°
CAOCBCCALCBB0.3°0.2°
CAOCBCCALCLA179.5°179.8°
CAOCBCCALH31179.7°179.7°
OAZCARCAVH10120.4°119.9°
OAZCARCAVH11120.4°120.0°
OAZCARH10H11118.8°120.0°
OAZCARCAVH1254.0°174.8°
OAZCARCAVH13173.2°54.8°
CAUCBJCBHH16119.1°119.0°
CAUCBJCBHOAG54.8°52.0°
CAUCBJCBHCAP64.4°68.0°
CBJCAUH14H15119.5°118.8°
CAUCBJCBHH17175.0°172.0°
CAUCBJCBKH22108.5°175.9°
CBJCBHOAGCAP119.1°120.0°
CBJCBHOAGH17118.9°120.0°
CBJCBHCAPH17120.2°120.0°
CBJCBHCAPOAF168.6°176.9°
CBHCBJCAUH1483.0°79.0°
CBHCBJCAUH1536.7°163.9°
CBJCBHOAGH18180.0°83.5°
CBJCBHCAPH1971.8°63.1°
CBJCBHCAPH2049.1°56.9°
CBHCBJCBKH2217.2°61.3°
CAVCARH10H11118.8°120.0°
CARCAVH12H13118.8°120.0°
CLBCBBCALCBC179.8°180.0°
CLBCBBCANH300.1°0.0°
CLBCBBCALH310.2°0.0°
CBBCALCBCH31180.0°179.9°
CBBCALCBCCLA179.3°180.0°
CALCBBCANH30178.8°180.0°
CALCBCCAOH32179.0°179.8°
CLACBCCALH310.7°0.1°
CLACBCCAOH320.5°0.0°
OAGCBHCAPH17122.7°120.0°
OAGCBHCAPOAF74.3°63.1°
OAGCBHCBJH16173.9°171.1°
OAGCBHCAPH1945.3°56.9°
OAGCBHCAPH20166.1°176.9°
CBHCAPOAFH19119.6°120.0°
CBHCAPOAFH20119.5°120.0°
CAPCBHCBJH1654.7°51.1°
CAPCBHOAGH1860.9°36.5°
CBHCAPH19H20121.2°119.9°
CBHCAPOAFH21180.0°180.0°
OAFCAPCBHH1748.4°56.8°
OAFCAPH19H20121.3°120.0°
H1CABH2H3120.0°120.0°
H5CAAH6H7120.0°120.1°
H8CAKCAJH90.1°0.1°
H10CARCAVH12174.4°65.3°
H10CARCAVH1366.4°174.8°
H11CARCAVH1266.4°54.8°
H11CARCAVH1352.8°65.1°
H14CAUCBJH16158.0°39.9°
H15CAUCBJH1682.3°77.2°
H16CBJCBHH1765.9°68.9°
H16CBJCBKH22134.1°56.8°
H17CBHOAGH1861.1°156.4°
H17CBHCAPH19168.0°176.9°
H17CBHCAPH2071.2°63.2°
H19CAPOAFH2160.4°60.0°
H20CAPOAFH2160.5°60.0°
H22CBKCATH2370.9°4.5°
H22CBKCATH2447.9°114.4°
H23CATCAQH2556.3°46.1°
H23CATCAQH2663.7°72.2°
H24CATCAQH25175.1°165.1°
H24CATCAQH2655.1°46.7°
H25CAQCBH27177.0°59.6°
H25CAQCBH2857.7°177.9°
H26CAQCBH2757.0°58.8°
H26CAQCBH2862.3°59.5°
H27CBCAH2951.1°17.1°
H28CBCAH2968.2°135.6°

222926

PDB entries from 2024-07-24

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