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PRD_001164

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCdoub1.21Å1.29Å
OE2CDdoub1.21Å1.27Å
OAECBKdoub1.21Å1.28Å
OXTCsing1.34Å1.27Å
CCAsing1.51Å1.55Å
CDOE1sing1.34Å1.26Å
CDCGsing1.51Å1.55Å
CGCBsing1.53Å1.55Å
CBCAsing1.53Å1.59Å
CBKOALsing1.34Å1.28Å
CBKCBXsing1.51Å1.57Å
CANsing1.47Å1.50Å
CBXCAXsing1.53Å1.54Å
CBXNBGsing1.47Å1.49Å
OAFCBLdoub1.21Å1.24Å
CAXCAUsing1.53Å1.52Å
NCBLsing1.35Å1.33Å
CBLCATsing1.51Å1.54Å
CAUCBMsing1.51Å1.56Å
CAWCBWsing1.53Å1.53Å
CAWCATsing1.53Å1.53Å
NBGCBNsing1.35Å1.34Å
NBFCBMsing1.35Å1.34Å
NBFCBWsing1.47Å1.50Å
CBMOAGdoub1.21Å1.23Å
OAHCBNdoub1.22Å1.24Å
CBWCBJsing1.51Å1.53Å
CBNCBQsing1.48Å1.57Å
CBJOAKdoub1.21Å1.26Å
CBJOADsing1.34Å1.23Å
CBQCAPdoub1.40Å1.41ÅAromatic
CBQCAQsing1.40Å1.42ÅAromatic
N2C2sing1.37Å1.34Å
CAPCANsing1.38Å1.40ÅAromatic
CAQCAOdoub1.38Å1.42ÅAromatic
N1C2doub1.31Å1.35Å
N1C8Asing1.35Å1.35Å
C2N3sing1.36Å1.36Å
N8C8Adoub1.33Å1.34ÅAromatic
N8C7sing1.32Å1.31ÅAromatic
C8AC4Asing1.41Å1.40ÅAromatic
CANCBPdoub1.39Å1.40ÅAromatic
N3C4sing1.35Å1.36Å
CAOCBPsing1.39Å1.42ÅAromatic
C7C6doub1.39Å1.40ÅAromatic
CBPN10sing1.39Å1.37Å
C4AC4sing1.47Å1.41Å
C4AN5doub1.33Å1.37ÅAromatic
C4O4doub1.22Å1.35Å
C6N5sing1.32Å1.34ÅAromatic
C6C9sing1.51Å1.54Å
N10C9sing1.47Å1.50Å
C7H1sing1.08Å1.08Å
N2H2sing0.97Å1.00Å
N2H3sing0.97Å1.00Å
N3H4sing0.97Å1.00Å
C9H5sing1.09Å1.10Å
C9H6sing1.09Å1.10Å
N10H7sing0.97Å1.00Å
CAOH8sing1.08Å1.08Å
CAQH9sing1.08Å1.08Å
CANH10sing1.08Å1.08Å
CAPH11sing1.08Å1.08Å
NBGH12sing0.97Å1.00Å
CBXH13sing1.09Å1.10Å
OALH14sing0.97Å0.95Å
CAXH15sing1.09Å1.10Å
CAXH16sing1.09Å1.10Å
CAUH17sing1.09Å1.10Å
CAUH18sing1.09Å1.10Å
NBFH19sing0.97Å1.00Å
CBWH20sing1.09Å1.10Å
OADH21sing0.97Å0.95Å
CAWH22sing1.09Å1.10Å
CAWH23sing1.09Å1.10Å
CATH24sing1.09Å1.10Å
CATH25sing1.09Å1.10Å
NH26sing0.97Å1.00Å
CAH27sing1.09Å1.10Å
OXTH28sing0.97Å0.95Å
CBH29sing1.09Å1.10Å
CBH30sing1.09Å1.10Å
CGH31sing1.09Å1.10Å
CGH32sing1.09Å1.10Å
OE1H33sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCOXT124.9°120.0°
OCCA116.1°120.0°
OE2CDOE1126.6°120.1°
OE2CDCG117.2°120.0°
OAECBKOAL125.8°120.0°
OAECBKCBX117.6°120.0°
OXTCCA118.9°120.0°
COXTH28109.5°117.0°
CCACB106.2°109.5°
CCAN108.6°109.5°
CCAH27108.9°109.5°
OE1CDCG116.1°120.0°
CDOE1H33109.5°117.0°
CDCGCB111.1°109.5°
CDCGH31109.0°109.5°
CDCGH32109.0°109.5°
CGCBCA109.4°109.5°
CGCBH29109.5°109.5°
CGCBH30109.5°109.5°
CBCGH31109.1°109.4°
CBCGH32109.0°109.5°
CBCAN114.9°109.5°
CBCAH27108.4°109.4°
CACBH29109.5°109.5°
CACBH30109.5°109.5°
OALCBKCBX116.4°120.0°
CBKOALH14109.5°116.9°
CBKCBXCAX105.3°109.5°
CBKCBXNBG109.8°109.4°
CBKCBXH13110.8°109.4°
CANCBL118.4°120.0°
CANH26120.8°120.0°
NCAH27109.6°109.5°
CAXCBXNBG107.5°109.5°
CBXCAXCAU119.7°109.5°
CAXCBXH13111.2°109.5°
CBXCAXH15106.9°109.5°
CBXCAXH16106.9°109.4°
CBXNBGCBN125.4°120.0°
CBXNBGH12117.3°120.0°
NBGCBXH13111.9°109.5°
OAFCBLN121.9°120.0°
OAFCBLCAT120.4°120.0°
CAXCAUCBM108.2°109.5°
CAUCAXH15106.9°109.5°
CAUCAXH16106.9°109.5°
CAXCAUH17109.8°109.5°
CAXCAUH18109.8°109.5°
NCBLCAT117.7°120.0°
CBLNH26120.8°120.0°
CBLCATCAW102.4°109.5°
CBLCATH24111.2°109.5°
CBLCATH25111.2°109.4°
CAUCBMNBF116.6°120.0°
CAUCBMOAG120.5°120.0°
CBMCAUH17109.8°109.4°
CBMCAUH18109.8°109.5°
CBWCAWCAT113.7°109.5°
CAWCBWNBF110.3°109.4°
CAWCBWCBJ109.7°109.5°
CAWCBWH20109.3°109.5°
CBWCAWH22108.4°109.5°
CBWCAWH23108.4°109.5°
CATCAWH22108.4°109.5°
CATCAWH23108.4°109.5°
CAWCATH24111.2°109.5°
CAWCATH25111.2°109.5°
NBGCBNOAH123.2°120.0°
NBGCBNCBQ117.4°120.0°
CBNNBGH12117.3°120.0°
CBMNBFCBW121.4°120.0°
NBFCBMOAG122.7°120.0°
CBMNBFH19119.3°120.0°
NBFCBWCBJ108.4°109.5°
CBWNBFH19119.3°120.0°
NBFCBWH20109.8°109.4°
OAHCBNCBQ119.2°120.0°
CBWCBJOAK118.7°120.0°
CBWCBJOAD115.2°120.0°
CBJCBWH20109.3°109.5°
CBNCBQCAP117.0°120.0°
CBNCBQCAQ125.3°120.1°
OAKCBJOAD126.1°120.0°
CBJOADH21109.5°117.0°
CAPCBQCAQ117.6°119.9°
CBQCAPCAN122.2°119.9°
CBQCAPH11118.9°120.1°
CBQCAQCAO120.1°119.9°
CBQCAQH9120.0°120.0°
N2C2N1118.5°118.4°
N2C2N3121.2°118.4°
C2N2H2120.0°120.0°
C2N2H3120.0°120.0°
CAPCANCBP121.1°120.1°
CAPCANH10119.4°119.9°
CANCAPH11118.9°120.0°
CAQCAOCBP121.3°120.1°
CAQCAOH8119.3°120.0°
CAOCAQH9119.9°120.1°
C2N1C8A120.9°121.7°
N1C2N3120.3°123.1°
N1C8AN8118.2°121.5°
N1C8AC4A120.9°119.2°
C2N3C4120.8°120.4°
C2N3H4119.6°119.8°
C8AN8C7118.4°119.6°
N8C8AC4A120.9°119.4°
N8C7C6122.9°120.7°
N8C7H1118.5°119.6°
C8AC4AC4116.7°118.1°
C8AC4AN5120.0°120.2°
CANCBPCAO117.7°120.1°
CANCBPN10119.5°119.9°
CBPCANH10119.5°120.0°
N3C4C4A120.3°117.5°
N3C4O4118.0°121.3°
C4N3H4119.6°119.8°
CAOCBPN10122.9°120.0°
CBPCAOH8119.4°119.9°
C7C6N5119.5°120.5°
C7C6C9116.6°119.8°
C6C7H1118.6°119.6°
CBPN10C9124.9°120.0°
CBPN10H7105.5°120.0°
C4C4AN5123.3°121.8°
C4AC4O4121.6°121.2°
C4AN5C6118.4°119.6°
N5C6C9123.9°119.7°
C6C9N10106.6°109.5°
C6C9H5110.2°109.5°
C6C9H6110.2°109.5°
N10C9H5110.2°109.5°
N10C9H6110.2°109.4°
C9N10H7105.5°120.0°
H2N2H3120.0°120.0°
H5C9H6109.4°109.5°
H15CAXH16109.4°109.4°
H17CAUH18109.5°109.5°
H22CAWH23109.5°109.5°
H24CATH25109.5°109.5°
H29CBH30109.5°109.5°
H31CGH32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCOXTCA178.2°180.0°
OCCACB83.1°120.0°
OCCAN152.8°0.0°
OCCAH2733.4°120.0°
OCOXTH280.0°0.0°
OE2CDOE1CG175.8°180.0°
OE2CDCGCB32.2°0.0°
OE2CDCGH3188.1°120.0°
OE2CDCGH32152.4°120.0°
OE2CDOE1H330.0°0.1°
OAECBKOALCBX175.1°180.0°
OAECBKCBXCAX87.2°120.0°
OAECBKCBXNBG157.3°0.0°
OAECBKCBXH1333.1°120.0°
OAECBKOALH140.0°0.0°
OXTCCACB98.5°60.0°
OXTCCAN25.6°180.0°
OXTCCAH27144.9°60.0°
CCACBCG63.0°175.0°
CCACBN120.1°120.0°
CCACBH27116.9°120.0°
CCANH27118.9°120.0°
CCANCBL57.4°85.0°
CCANH26122.6°95.0°
CACOXTH28178.2°180.0°
CCACBH29177.0°65.0°
CCACBH3057.0°55.0°
OE1CDCGCB151.7°180.0°
OE1CDCGH3188.1°60.0°
OE1CDCGH3231.4°60.0°
CDCGCBH31120.3°120.0°
CDCGCBH32120.2°120.0°
CDCGCBCA175.4°180.0°
CDCGCBH2964.6°60.0°
CDCGCBH3055.4°60.0°
CDCGH31H32119.2°120.0°
CGCDOE1H33175.8°179.9°
CGCBCAH29120.0°120.0°
CGCBCAH30120.0°120.0°
CGCBCAN57.1°65.0°
CGCBCAH27179.9°55.0°
CGCBH29H30120.1°120.0°
CBCGH31H32119.2°120.0°
CBCANH27122.4°119.9°
CBCANCBL176.2°155.0°
CBCANH263.8°25.0°
CACBH29H30120.1°120.0°
CACBCGH3155.1°60.0°
CACBCGH3264.4°60.0°
OALCBKCBXCAX88.3°60.0°
OALCBKCBXNBG27.2°180.0°
OALCBKCBXH13151.3°60.0°
CBKCBXCAXNBG117.1°120.0°
CBKCBXCAXH13120.1°120.0°
CBKCBXNBGH13123.5°120.0°
CBKCBXCAXCAU161.5°175.0°
CBKCBXNBGCBN151.7°85.0°
CBKCBXNBGH1228.3°95.1°
CBXCBKOALH14175.2°180.0°
CBKCBXCAXH1577.1°64.9°
CBKCBXCAXH1640.0°55.0°
CANCBLOAF6.0°0.0°
CANCBLH26180.0°180.0°
CANCBLCAT173.5°180.0°
NCACBH2962.9°55.0°
NCACBH30177.1°175.0°
CAXCBXNBGH13122.4°120.0°
CBXCAXCAUH15121.4°120.1°
CBXCAXCAUH16121.5°120.0°
CBXCAXCAUCBM165.0°180.0°
CAXCBXNBGCBN94.2°155.0°
CAXCBXNBGH1285.8°24.9°
CBXCAXH15H16115.4°120.0°
CBXCAXCAUH1775.2°60.0°
CBXCAXCAUH1845.2°60.0°
NBGCBXCAXCAU81.5°65.0°
CBXNBGCBNH12180.0°179.9°
CBXNBGCBNOAH2.1°0.1°
CBXNBGCBNCBQ177.2°180.0°
NBGCBXCAXH1540.0°55.0°
NBGCBXCAXH16157.1°175.0°
OAFCBLNCAT179.5°179.9°
OAFCBLCATCAW72.8°0.0°
OAFCBLCATH24168.3°120.0°
OAFCBLCATH2546.0°120.0°
OAFCBLNH26173.9°180.0°
CAXCAUCBMH17119.8°120.0°
CAXCAUCBMH18119.8°120.0°
CAXCAUCBMNBF139.2°180.0°
CAXCAUCBMOAG45.8°0.0°
CAUCAXCBXH1341.4°55.0°
CAUCAXH15H16115.4°120.0°
CAXCAUH17H18120.6°120.0°
NCBLCATCAW106.7°180.0°
NCBLCATH2412.1°60.0°
NCBLCATH25134.4°60.0°
CBLNCAH2761.4°35.0°
CBLCATCAWCBW157.2°180.0°
CBLCATCAWH24118.9°120.0°
CBLCATCAWH25118.9°120.0°
CBLCATCAWH2236.5°60.0°
CBLCATCAWH2382.2°60.0°
CBLCATH24H25123.3°120.0°
CATCBLNH266.5°0.0°
CAUCBMNBFOAG174.9°180.0°
CAUCBMNBFCBW177.3°179.9°
CBMCAUCAXH1543.5°60.0°
CBMCAUCAXH1673.6°60.0°
CBMCAUH17H18120.6°120.0°
CAUCBMNBFH192.7°0.0°
CBWCAWCATH22120.6°120.0°
CBWCAWCATH23120.6°120.0°
CAWCBWNBFCBM163.7°155.0°
CAWCBWNBFCBJ120.2°120.0°
CAWCBWNBFH20120.5°120.0°
CAWCBWCBJH20119.9°120.1°
CAWCBWCBJOAK79.0°120.0°
CAWCBWCBJOAD102.2°60.0°
CAWCBWNBFH1916.3°25.0°
CBWCAWH22H23118.1°120.0°
CBWCAWCATH2438.3°60.0°
CBWCAWCATH2584.0°60.1°
CATCAWCBWNBF162.0°65.0°
CATCAWCBWCBJ42.6°175.0°
CATCAWCBWH2077.3°54.9°
CATCAWH22H23118.1°120.0°
CAWCATH24H25123.3°120.0°
NBGCBNOAHCBQ175.0°180.0°
NBGCBNCBQCAP154.5°180.0°
NBGCBNCBQCAQ28.3°0.3°
CBNNBGCBXH1328.2°34.9°
CBMNBFCBWH19180.0°179.9°
CBMNBFCBWCBJ76.2°85.0°
NBFCBMCAUH1719.4°60.0°
NBFCBMCAUH18101.0°60.0°
CBMNBFCBWH2043.2°35.0°
CBWNBFCBMOAG2.5°0.0°
NBFCBWCBJH20119.6°120.0°
NBFCBWCBJOAK41.5°0.0°
NBFCBWCBJOAD137.3°180.0°
NBFCBWCAWH2277.4°55.0°
NBFCBWCAWH2341.4°175.0°
OAGCBMCAUH17165.6°120.0°
OAGCBMCAUH1874.0°120.0°
OAGCBMNBFH19177.5°180.0°
OAHCBNCBQCAP30.2°0.0°
OAHCBNCBQCAQ147.0°179.8°
OAHCBNNBGH12177.9°180.0°
CBWCBJOAKOAD178.7°180.0°
CBJCBWNBFH19103.8°95.0°
CBWCBJOADH21178.7°180.0°
CBJCBWCAWH22163.3°65.0°
CBJCBWCAWH2378.0°55.0°
CBNCBQCAPCAQ177.4°179.8°
CBNCBQCAPCAN178.2°180.0°
CBNCBQCAQCAO178.2°179.9°
CBNCBQCAQH91.8°0.0°
CBNCBQCAPH111.8°0.0°
CBQCBNNBGH122.7°0.1°
OAKCBJCBWH20161.1°120.0°
OAKCBJOADH210.0°0.0°
OADCBJCBWH2017.7°60.1°
CBQCAPCANH11180.0°180.0°
CAPCBQCAQCAO1.0°0.3°
CBQCAPCANCBP0.5°0.0°
CAPCBQCAQH9179.0°179.8°
CBQCAPCANH10179.6°180.0°
CAQCBQCAPCAN0.8°0.3°
CBQCAQCAOH9180.0°180.0°
CBQCAQCAOCBP1.0°0.0°
CBQCAQCAOH8179.0°180.0°
CAQCBQCAPH11179.3°179.8°
N2C2N1N3180.0°180.0°
N2C2N1C8A179.4°179.7°
N2C2N3C4179.2°180.0°
C2N2H2H3180.0°180.0°
N2C2N3H40.8°0.0°
CAPCANCBPH10180.0°180.0°
CAPCANCBPCAO0.4°0.3°
CAPCANCBPN10180.0°180.0°
CAQCAOCBPCAN0.6°0.3°
CAQCAOCBPH8180.0°180.0°
CAQCAOCBPN10179.8°180.0°
C2N1C8AN8179.8°179.7°
C2N1C8AC4A0.3°0.2°
N1C2N3C40.8°0.0°
N1C2N2H20.0°180.0°
N1C2N2H3180.0°0.0°
N1C2N3H4179.2°180.0°
C8AN1C2N30.6°0.3°
N1C8AN8C4A179.4°179.9°
N1C8AN8C7178.8°180.0°
N1C8AC4AC40.2°0.0°
N1C8AC4AN5179.1°180.0°
C2N3C4H4180.0°180.0°
C2N3C4C4A0.6°0.3°
C2N3C4O4179.4°180.0°
N3C2N2H2180.0°0.0°
N3C2N2H30.0°180.0°
C8AN8C7C61.3°0.1°
N8C8AC4AC4179.5°179.9°
N8C8AC4AN50.3°0.1°
C8AN8C7H1178.7°180.0°
C7N8C8AC4A0.6°0.1°
N8C7C6H1180.0°179.9°
N8C7C6N51.6°0.1°
N8C7C6C9179.2°180.0°
C8AC4AC4N30.3°0.3°
C8AC4AC4N5179.2°180.0°
C8AC4AC4O4179.7°180.0°
C8AC4AN5C60.6°0.1°
CANCBPCAON10179.6°179.7°
CANCBPN10C914.2°180.0°
CANCBPN10H7136.3°0.1°
CANCBPCAOH8179.4°179.7°
CBPCANCAPH11179.6°179.9°
N3C4C4AO4180.0°179.7°
N3C4C4AN5179.0°179.7°
CAOCBPN10C9165.4°0.2°
CAOCBPN10H743.3°179.7°
CBPCAOCAQH9179.1°180.0°
CAOCBPCANH10179.6°179.7°
C7C6N5C4A1.2°0.1°
C7C6N5C9179.1°180.0°
C7C6C9N102.1°94.9°
C7C6C9H5117.5°145.0°
C7C6C9H6121.7°25.0°
CBPN10C9C676.3°180.0°
CBPN10C9H7122.1°179.9°
CBPN10C9H543.2°60.0°
CBPN10C9H6164.1°60.0°
N10CBPCAOH80.2°0.0°
N10CBPCANH100.0°0.0°
C4C4AN5C6179.8°180.0°
C4AC4N3H4179.4°179.7°
N5C4AC4O41.0°0.0°
C4AN5C6C9179.7°180.0°
O4C4N3H40.6°0.0°
N5C6C9N10177.1°85.0°
N5C6C7H1178.4°180.0°
N5C6C9H563.4°35.0°
N5C6C9H657.5°155.1°
C6C9N10H5119.5°120.0°
C6C9N10H6119.6°120.0°
C9C6C7H10.8°0.0°
C6C9H5H6121.3°120.0°
C6C9N10H745.8°0.1°
N10C9H5H6121.3°120.0°
H5C9N10H7165.3°119.9°
H6C9N10H773.8°120.1°
H8CAOCAQH90.9°0.0°
H10CANCAPH110.4°0.1°
H12NBGCBXH13151.8°145.0°
H13CBXCAXH15162.9°175.1°
H13CBXCAXH1680.0°65.0°
H15CAXCAUH17163.4°179.9°
H15CAXCAUH1876.3°60.0°
H16CAXCAUH1746.3°60.0°
H16CAXCAUH18166.6°180.0°
H19NBFCBWH20136.8°145.0°
H20CBWCAWH2243.4°175.0°
H20CBWCAWH23162.1°65.0°
H22CAWCATH2482.3°180.0°
H22CAWCATH25155.4°60.0°
H23CAWCATH24158.9°60.0°
H23CAWCATH2536.6°180.0°
H26NCAH27118.6°145.0°
H27CACBH2960.1°175.0°
H27CACBH3059.9°65.0°
H29CBCGH31175.1°180.0°
H29CBCGH3255.6°60.0°
H30CBCGH3164.9°60.0°
H30CBCGH32175.6°180.0°

223532

PDB entries from 2024-08-07

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