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PRD_000630

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CANCAPsing1.38Å1.39ÅAromatic
CANCBGdoub1.38Å1.39ÅAromatic
CANHANsing1.08Å1.08Å
CAPCBHdoub1.39Å1.39ÅAromatic
CAPHAPsing1.08Å1.08Å
CBHCAQsing1.39Å1.39ÅAromatic
CBHOAZsing1.36Å1.36Å
CAQCAOdoub1.38Å1.39ÅAromatic
CAQHAQsing1.08Å1.08Å
CAOCBGsing1.38Å1.39ÅAromatic
CAOHAOsing1.08Å1.08Å
CBGCAVsing1.51Å1.53Å
OAZPBLsing1.61Å1.61Å
PBLOAKsing1.61Å1.48Å
PBLOAMdoub1.48Å1.61Å
PBLOALsing1.61Å1.61Å
OAKHOAKsing0.97Å0.95Å
OALHOALsing0.97Å0.95Å
CAVCBIsing1.53Å1.53Å
CAVHAVsing1.09Å1.10Å
CAVHAVAsing1.09Å1.10Å
CBICBEsing1.51Å1.53Å
CBICAUsing1.53Å1.53Å
CBIHBIsing1.09Å1.10Å
CBEOAIdoub1.21Å1.23Å
CBENAXsing1.35Å1.33Å
CAUCBDsing1.51Å1.53Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
CBDNAWsing1.35Å1.33Å
CBDOAHdoub1.21Å1.23Å
NAWCAAsing1.46Å1.47Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
NAXCBKsing1.47Å1.47Å
NAXHNAXsing0.97Å1.00Å
CBKCBFsing1.51Å1.53Å
CBKCASsing1.53Å1.53Å
CBKHBKsing1.09Å1.10Å
CBFOAJdoub1.21Å1.23Å
CBFNsing1.35Å1.33Å
CASCARsing1.53Å1.53Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CARCBAsing1.51Å1.53Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CBAOAEdoub1.21Å1.23Å
CBANABsing1.35Å1.33Å
NABHNABsing0.97Å1.00Å
NABHNAAsing0.97Å1.00Å
NCAsing1.46Å1.47Å
NHNsing0.97Å1.00Å
CACsing1.51Å1.53Å
CACBsing1.53Å1.53Å
CAHAsing1.09Å1.10Å
COdoub1.21Å1.23Å
CNADsing1.35Å1.33Å
CBCGsing1.51Å1.53Å
CBHBsing1.09Å1.10Å
CBHBAsing1.09Å1.10Å
CGOD1doub1.21Å1.23Å
CGND2sing1.35Å1.33Å
ND2HND2sing0.97Å1.00Å
ND2HNDAsing0.97Å1.00Å
NADHNADsing0.97Å1.00Å
NADHNACsing0.97Å1.00Å
NAWH30sing0.97Å1.00Å
CAAH31sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAPCANCBG120.1°120.0°
CAPCANHAN119.9°120.0°
CANCAPCBH120.7°119.9°
CANCAPHAP119.6°120.0°
CBGCANHAN120.0°120.0°
CANCBGCAO119.4°120.1°
CANCBGCAV118.9°119.9°
CBHCAPHAP119.6°120.1°
CAPCBHCAQ119.1°119.9°
CAPCBHOAZ117.7°120.0°
CAQCBHOAZ123.1°120.1°
CBHCAQCAO120.3°119.9°
CBHCAQHAQ119.8°120.0°
CBHOAZPBL116.1°114.0°
CAOCAQHAQ119.8°120.1°
CAQCAOCBG120.3°120.1°
CAQCAOHAO119.8°119.9°
CBGCAOHAO119.8°120.0°
CAOCBGCAV121.4°120.0°
CBGCAVCBI109.9°109.5°
CBGCAVHAV109.4°109.5°
CBGCAVHAVA109.4°109.5°
OAZPBLOAK114.0°109.5°
OAZPBLOAM104.7°109.5°
OAZPBLOAL108.0°109.5°
OAKPBLOAM111.2°109.5°
OAKPBLOAL112.6°109.5°
PBLOAKHOAK109.5°114.0°
OAMPBLOAL105.6°109.4°
PBLOALHOAL109.5°114.0°
CBICAVHAV109.3°109.5°
CBICAVHAVA109.3°109.5°
CAVCBICBE111.5°109.5°
CAVCBICAU109.3°109.5°
CAVCBIHBI108.1°109.5°
HAVCAVHAVA109.6°109.5°
CBECBICAU109.1°109.5°
CBECBIHBI108.3°109.5°
CBICBEOAI121.2°120.0°
CBICBENAX115.4°120.0°
CAUCBIHBI110.5°109.4°
CBICAUCBD110.4°109.5°
CBICAUHAU109.1°109.4°
CBICAUHAUA109.1°109.5°
OAICBENAX123.3°120.0°
CBENAXCBK121.8°119.9°
CBENAXHNAX119.1°120.0°
CBDCAUHAU109.1°109.5°
CBDCAUHAUA109.2°109.5°
CAUCBDNAW115.0°120.0°
CAUCBDOAH120.7°120.0°
HAUCAUHAUA109.8°109.5°
NAWCBDOAH124.2°120.1°
CBDNAWCAA117.0°120.0°
CBDNAWH30121.5°120.0°
NAWCAAHAA109.5°109.5°
NAWCAAHAAA109.4°109.5°
CAANAWH30121.5°120.1°
NAWCAAH31109.5°109.5°
HAACAAHAAA109.5°109.4°
HAACAAH31109.5°109.4°
HAAACAAH31109.5°109.5°
CBKNAXHNAX119.1°120.0°
NAXCBKCBF112.5°109.4°
NAXCBKCAS110.0°109.5°
NAXCBKHBK107.1°109.5°
CBFCBKCAS109.6°109.5°
CBFCBKHBK107.4°109.5°
CBKCBFOAJ120.3°120.0°
CBKCBFN116.4°120.0°
CASCBKHBK110.1°109.5°
CBKCASCAR111.3°109.5°
CBKCASHAS108.9°109.4°
CBKCASHASA108.9°109.4°
OAJCBFN123.3°119.9°
CBFNCA120.7°120.0°
CBFNHN119.6°119.9°
CARCASHAS108.9°109.5°
CARCASHASA108.9°109.5°
CASCARCBA111.6°109.5°
CASCARHAR108.8°109.5°
CASCARHARA108.8°109.4°
HASCASHASA110.1°109.5°
CBACARHAR108.8°109.5°
CBACARHARA108.7°109.4°
CARCBAOAE120.8°120.0°
CARCBANAB115.2°120.0°
HARCARHARA110.2°109.5°
OAECBANAB124.0°120.0°
CBANABHNAB120.0°120.0°
CBANABHNAA120.0°120.0°
HNABNABHNAA120.0°120.0°
CANHN119.6°120.0°
NCAC111.4°109.5°
NCACB110.3°109.5°
NCAHA108.0°109.4°
CCACB110.6°109.5°
CCAHA107.7°109.5°
CACO120.9°120.0°
CACNAD115.3°120.0°
CBCAHA108.8°109.5°
CACBCG112.0°109.5°
CACBHB108.6°109.5°
CACBHBA108.6°109.4°
OCNAD123.8°120.0°
CNADHNAD120.0°120.0°
CNADHNAC120.0°120.0°
CGCBHB108.7°109.5°
CGCBHBA108.6°109.5°
CBCGOD1121.2°120.0°
CBCGND2114.9°120.0°
HBCBHBA110.3°109.4°
OD1CGND2124.0°120.1°
CGND2HND2120.0°120.0°
CGND2HNDA120.0°120.0°
HND2ND2HNDA120.0°120.0°
HNADNADHNAC120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAPCANCBGHAN180.0°179.7°
CANCAPCBHHAP180.0°180.0°
CANCAPCBHCAQ0.7°0.0°
CANCAPCBHOAZ176.8°180.0°
CAPCANCBGCAO0.9°0.0°
CAPCANCBGCAV174.2°180.0°
CBGCANCAPCBH0.1°0.0°
CBGCANCAPHAP179.9°180.0°
CANCBGCAOCAQ0.8°0.0°
CANCBGCAOCAV174.9°180.0°
CANCBGCAOHAO179.2°180.0°
CANCBGCAVCBI96.5°95.9°
CANCBGCAVHAV143.5°144.2°
CANCBGCAVHAVA23.5°24.1°
HANCANCAPCBH179.9°179.8°
HANCANCAPHAP0.1°0.3°
HANCANCBGCAO179.1°179.8°
HANCANCBGCAV5.8°0.3°
CAPCBHCAQOAZ177.3°180.0°
CAPCBHCAQCAO0.7°0.0°
CAPCBHCAQHAQ179.3°180.0°
CAPCBHOAZPBL178.7°90.0°
HAPCAPCBHCAQ179.3°180.0°
HAPCAPCBHOAZ3.2°0.0°
CBHCAQCAOHAQ180.0°180.0°
CBHCAQCAOCBG0.0°0.0°
CBHCAQCAOHAO180.0°180.0°
CAQCBHOAZPBL3.9°90.0°
OAZCBHCAQCAO176.6°180.0°
OAZCBHCAQHAQ3.3°0.0°
CBHOAZPBLOAK74.2°65.0°
CBHOAZPBLOAM164.0°55.0°
CBHOAZPBLOAL51.8°175.0°
CAQCAOCBGHAO180.0°180.0°
CAQCAOCBGCAV174.1°180.0°
HAQCAQCAOCBG179.9°180.0°
HAQCAQCAOHAO0.1°0.0°
CAOCBGCAVCBI78.5°84.1°
CAOCBGCAVHAV41.5°35.8°
CAOCBGCAVHAVA161.5°155.9°
HAOCAOCBGCAV5.9°0.0°
CBGCAVCBIHAV120.0°120.0°
CBGCAVCBIHAVA120.0°120.0°
CBGCAVHAVHAVA119.9°120.0°
CBGCAVCBICBE173.1°175.1°
CBGCAVCBICAU52.4°64.9°
CBGCAVCBIHBI67.9°55.1°
OAZPBLOAKOAM118.1°120.0°
OAZPBLOAKOAL123.6°120.0°
OAZPBLOAMOAL113.9°120.0°
OAZPBLOAKHOAK118.1°60.1°
OAZPBLOALHOAL111.6°180.0°
OAKPBLOAMOAL122.5°120.0°
OAKPBLOALHOAL121.6°60.0°
OAMPBLOAKHOAK0.0°180.0°
OAMPBLOALHOAL0.0°60.0°
OALPBLOAKHOAK118.3°60.0°
CBICAVHAVHAVA119.8°120.0°
CAVCBICBECAU120.8°120.0°
CAVCBICBEHBI118.8°120.0°
CAVCBICAUHBI118.8°120.0°
CAVCBICBEOAI82.2°0.0°
CAVCBICBENAX98.0°180.0°
CAVCBICAUCBD163.4°57.9°
CAVCBICAUHAU76.6°62.1°
CAVCBICAUHAUA43.4°177.9°
HAVCAVCBICBE66.9°55.1°
HAVCAVCBICAU172.4°175.1°
HAVCAVCBIHBI52.1°64.9°
HAVACAVCBICBE53.1°64.9°
HAVACAVCBICAU67.6°55.1°
HAVACAVCBIHBI172.1°175.1°
CBECBICAUHBI119.0°120.0°
CBICBEOAINAX179.8°179.9°
CBECBICAUCBD74.5°62.2°
CBECBICAUHAU45.5°177.9°
CBECBICAUHAUA165.5°57.9°
CBICBENAXCBK178.6°180.0°
CBICBENAXHNAX1.4°0.0°
CAUCBICBEOAI38.6°120.0°
CAUCBICBENAX141.2°60.0°
CBICAUCBDHAU120.0°120.0°
CBICAUCBDHAUA120.0°120.0°
CBICAUHAUHAUA119.6°120.0°
CBICAUCBDNAW122.7°174.2°
CBICAUCBDOAH57.8°5.8°
HBICBICBEOAI159.0°120.1°
HBICBICBENAX20.8°60.0°
HBICBICAUCBD44.6°177.9°
HBICBICAUHAU164.5°57.9°
HBICBICAUHAUA75.4°62.1°
OAICBENAXCBK1.2°0.1°
OAICBENAXHNAX178.8°180.0°
CBENAXCBKHNAX180.0°180.0°
CBENAXCBKCBF62.1°155.0°
CBENAXCBKCAS175.4°85.1°
CBENAXCBKHBK55.7°35.0°
CBDCAUHAUHAUA119.6°120.0°
CAUCBDNAWOAH179.5°180.0°
CAUCBDNAWCAA177.8°180.0°
CAUCBDNAWH302.2°0.0°
HAUCAUCBDNAW2.7°54.2°
HAUCAUCBDOAH177.8°125.8°
HAUACAUCBDNAW117.4°65.8°
HAUACAUCBDOAH62.2°114.2°
CBDNAWCAAH30180.0°180.0°
CBDNAWCAAHAA180.0°60.0°
CBDNAWCAAHAAA60.0°180.0°
CBDNAWCAAH3160.0°60.0°
OAHCBDNAWCAA1.8°0.0°
OAHCBDNAWH30178.3°180.0°
NAWCAAHAAHAAA120.0°120.0°
NAWCAAHAAH31120.0°120.1°
NAWCAAHAAAH31120.0°120.1°
HAACAAHAAAH31120.0°119.9°
HAACAANAWH300.0°120.0°
HAAACAANAWH30120.0°0.0°
NAXCBKCBFCAS122.7°120.0°
NAXCBKCBFHBK117.6°120.0°
NAXCBKCASHBK117.8°120.1°
NAXCBKCBFOAJ147.7°0.0°
NAXCBKCBFN32.4°180.0°
NAXCBKCASCAR59.8°65.1°
NAXCBKCASHAS60.2°55.0°
NAXCBKCASHASA179.8°175.0°
HNAXNAXCBKCBF117.9°25.0°
HNAXNAXCBKCAS4.6°95.0°
HNAXNAXCBKHBK124.3°145.0°
CBFCBKCASHBK118.0°120.0°
CBKCBFOAJN179.9°180.0°
CBFCBKCASCAR176.0°175.0°
CBFCBKCASHAS64.0°65.0°
CBFCBKCASHASA55.9°55.0°
CBKCBFNCA179.3°180.0°
CBKCBFNHN0.6°0.0°
CASCBKCBFOAJ89.6°120.0°
CASCBKCBFN90.3°60.0°
CBKCASCARHAS120.0°120.0°
CBKCASCARHASA120.0°119.9°
CBKCASHASHASA119.2°119.9°
CBKCASCARCBA61.0°180.0°
CBKCASCARHAR59.0°60.0°
CBKCASCARHARA179.0°60.0°
HBKCBKCBFOAJ30.1°120.0°
HBKCBKCBFN150.0°60.0°
HBKCBKCASCAR57.9°55.0°
HBKCBKCASHAS177.9°175.0°
HBKCBKCASHASA62.1°65.0°
OAJCBFNCA0.5°0.0°
OAJCBFNHN179.5°179.9°
CBFNCAHN180.0°179.9°
CBFNCAC100.2°85.0°
CBFNCACB136.7°155.0°
CBFNCAHA17.9°35.0°
CARCASHASHASA119.3°120.1°
CASCARCBAHAR120.0°120.0°
CASCARCBAHARA120.0°119.9°
CASCARHARHARA119.1°120.0°
CASCARCBAOAE129.7°0.1°
CASCARCBANAB50.7°180.0°
HASCASCARCBA179.0°60.0°
HASCASCARHAR61.0°180.0°
HASCASCARHARA59.0°59.9°
HASACASCARCBA59.0°60.1°
HASACASCARHAR179.0°60.0°
HASACASCARHARA61.0°180.0°
CBACARHARHARA119.1°120.0°
CARCBAOAENAB179.5°179.9°
CARCBANABHNAB179.5°0.1°
CARCBANABHNAA0.5°180.0°
HARCARCBAOAE9.7°120.0°
HARCARCBANAB170.7°60.0°
HARACARCBAOAE110.3°120.0°
HARACARCBANAB69.3°60.1°
OAECBANABHNAB0.0°180.0°
OAECBANABHNAA180.0°0.0°
CBANABHNABHNAA180.0°180.0°
NCACCB123.0°120.0°
NCACHA118.2°120.0°
NCACBHA118.3°120.0°
NCACO160.1°0.0°
NCACNAD21.2°180.0°
NCACBCG58.4°65.0°
NCACBHB178.4°55.0°
NCACBHBA61.6°174.9°
HNNCAC79.9°95.0°
HNNCACB43.3°24.9°
HNNCAHA162.1°145.0°
CCACBHA118.1°120.0°
CACONAD178.6°180.0°
CCACBCG65.2°175.0°
CCACBHB54.8°65.0°
CCACBHBA174.8°55.0°
CACNADHNAD178.7°0.0°
CACNADHNAC1.4°180.0°
CBCACO37.1°120.0°
CBCACNAD144.2°60.0°
CACBCGHB120.0°120.0°
CACBCGHBA120.0°120.0°
CACBHBHBA119.0°119.9°
CACBCGOD126.3°0.1°
CACBCGND2154.3°180.0°
HACACO81.7°120.0°
HACACNAD97.0°60.0°
HACACBCG176.7°54.9°
HACACBHB63.3°175.0°
HACACBHBA56.7°65.1°
OCNADHNAD0.0°180.0°
OCNADHNAC180.0°0.0°
CNADHNADHNAC180.0°179.9°
CGCBHBHBA119.0°120.0°
CBCGOD1ND2179.4°179.9°
CBCGND2HND2179.4°0.0°
CBCGND2HNDA0.6°180.0°
HBCBCGOD1146.3°120.0°
HBCBCGND234.3°60.0°
HBACBCGOD193.7°120.0°
HBACBCGND285.7°60.0°
OD1CGND2HND20.0°180.0°
OD1CGND2HNDA180.0°0.1°
CGND2HND2HNDA180.0°180.0°
H30NAWCAAH31120.0°120.0°

224201

PDB entries from 2024-08-28

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