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SummaryGeometryRelated PDB entries

IPK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
OAACAXdoub1.22Å1.22Å
CABCACdoub1.38Å1.40ÅAromatic
CADCABsing1.38Å1.40ÅAromatic
CADCAGdoub1.38Å1.39ÅAromatic
CAFCACsing1.38Å1.39ÅAromatic
CAGCAZsing1.38Å1.39ÅAromatic
CAICAYdoub1.38Å1.41ÅAromatic
CAJCAHdoub1.38Å1.39ÅAromatic
CAKCAIsing1.38Å1.39ÅAromatic
CAKCBAdoub1.40Å1.40ÅAromatic
CAOCBEsing1.53Å1.54Å
CAPCANsing1.53Å1.52Å
CAQCAOsing1.53Å1.54Å
CAQNBFsing1.47Å1.49Å
CARSAWsing1.81Å1.85Å
CAXCBAsing1.48Å1.55Å
CAXNBFsing1.35Å1.34Å
CAYCAHsing1.38Å1.40ÅAromatic
CAYCARsing1.51Å1.55Å
CAZCAFdoub1.38Å1.40ÅAromatic
CAZCASsing1.51Å1.53Å
CBACAJsing1.40Å1.39ÅAromatic
CBECANsing1.53Å1.54Å
CBECASsing1.53Å1.53Å
NBFCAPsing1.47Å1.51Å
SAWC21sing1.76Å1.79Å
N2C21sing1.37Å1.54ÅAromatic
C21N3doub1.31Å1.54ÅAromatic
C22N2sing1.38Å1.54ÅAromatic
N3C23sing1.35Å1.54ÅAromatic
C24C22sing1.38Å1.54ÅAromatic
C22C23doub1.41Å1.54ÅAromatic
C23C25sing1.40Å1.54ÅAromatic
N4C24doub1.32Å1.54ÅAromatic
C25C26doub1.37Å1.54ÅAromatic
N4C26sing1.32Å1.54ÅAromatic
CABHABsing1.08Å1.08Å
CACHACsing1.08Å1.08Å
CADHADsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CANHANsing1.09Å1.10Å
CANHANAsing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CBEHBEsing1.09Å1.10Å
N2H23sing0.97Å1.00Å
C24H24sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
OAACAXCBA120.7°120.0°
OAACAXNBF118.9°120.0°
CACCABCAD119.8°120.0°
CABCACCAF120.0°120.0°
CACCABHAB120.1°120.0°
CABCACHAC120.0°120.0°
CABCADCAG120.4°120.0°
CADCABHAB120.1°120.0°
CABCADHAD119.8°120.0°
CADCAGCAZ119.4°120.0°
CAGCADHAD119.8°120.0°
CADCAGHAG120.3°120.0°
CACCAFCAZ119.6°120.0°
CAFCACHAC120.0°120.0°
CACCAFHAF120.2°120.0°
CAGCAZCAF120.8°120.0°
CAGCAZCAS119.1°120.0°
CAZCAGHAG120.3°120.0°
CAYCAICAK119.8°120.2°
CAICAYCAH119.5°120.3°
CAICAYCAR121.7°119.9°
CAYCAIHAI120.1°119.9°
CAJCAHCAY120.5°120.1°
CAHCAJCBA120.1°119.9°
CAJCAHHAH119.8°119.9°
CAHCAJHAJ119.9°120.0°
CAICAKCBA120.3°119.8°
CAKCAIHAI120.1°120.0°
CAICAKHAK119.9°120.1°
CAKCBACAX121.1°120.1°
CAKCBACAJ119.8°119.7°
CBACAKHAK119.9°120.1°
CBECAOCAQ113.1°109.3°
CAOCBECAN111.6°109.6°
CAOCBECAS115.4°109.4°
CBECAOHAO108.3°109.5°
CBECAOHAOA108.3°109.5°
CAOCBEHBE102.8°109.4°
CAPCANCBE112.1°109.4°
CANCAPNBF112.4°108.8°
CAPCANHAN108.6°109.5°
CAPCANHANA108.6°109.5°
CANCAPHAP108.5°109.6°
CANCAPHAPA108.5°109.6°
CAOCAQNBF112.1°108.8°
CAQCAOHAO108.3°109.4°
CAQCAOHAOA108.3°109.5°
CAOCAQHAQ108.6°109.6°
CAOCAQHAQA108.6°109.6°
CAQNBFCAX120.0°120.7°
CAQNBFCAP121.1°118.7°
NBFCAQHAQ108.6°109.6°
NBFCAQHAQA108.6°109.6°
SAWCARCAY112.5°109.5°
CARSAWC21145.7°100.0°
SAWCARHAR108.5°109.5°
SAWCARHARA108.5°109.4°
CBACAXNBF120.4°120.0°
CAXCBACAJ119.1°120.1°
CAXNBFCAP119.0°120.6°
CAHCAYCAR118.8°119.9°
CAYCAHHAH119.8°119.9°
CAYCARHAR108.5°109.5°
CAYCARHARA108.5°109.5°
CAFCAZCAS120.0°120.0°
CAZCAFHAF120.2°120.0°
CAZCASCBE118.0°109.4°
CAZCASHAS106.7°109.4°
CAZCASHASA106.7°109.5°
CBACAJHAJ120.0°120.1°
CANCBECAS106.4°109.5°
CBECANHAN108.6°109.5°
CBECANHANA108.6°109.4°
CANCBEHBE112.4°109.4°
CBECASHAS106.7°109.5°
CBECASHASA106.7°109.5°
CASCBEHBE108.4°109.5°
NBFCAPHAP108.5°109.5°
NBFCAPHAPA108.5°109.7°
SAWC21N2117.0°125.1°
SAWC21N3135.0°125.1°
N2C21N3108.0°109.8°
C21N2C22108.0°107.2°
C21N2H23126.0°126.4°
C21N3C23108.0°109.7°
N2C22C24132.0°134.9°
N2C22C23108.0°106.1°
C22N2H23126.0°126.4°
N3C23C22108.0°107.2°
N3C23C25132.0°134.6°
C24C22C23120.0°119.0°
C22C24N4120.0°120.3°
C22C24H24120.0°119.9°
C22C23C25120.0°118.2°
C23C25C26120.0°118.9°
C23C25H25120.0°120.6°
C24N4C26120.0°122.3°
N4C24H24120.0°119.8°
C25C26N4120.0°121.4°
C26C25H25120.0°120.5°
C25C26H26120.0°119.3°
N4C26H26120.0°119.3°
HANCANHANA110.3°109.5°
HAOCAOHAOA110.6°109.5°
HAPCAPHAPA110.4°109.6°
HAQCAQHAQA110.4°109.7°
HARCARHARA110.4°109.4°
HASCASHASA112.1°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
OAACAXCBACAK59.8°41.2°
OAACAXNBFCAQ0.2°5.9°
OAACAXCBANBF179.7°180.0°
OAACAXCBACAJ120.0°138.6°
OAACAXNBFCAP179.7°174.2°
CACCABCADHAB180.0°179.8°
CACCABCADCAG0.2°0.0°
CABCACCAFHAC180.0°180.0°
CABCACCAFCAZ0.0°0.0°
CACCABCADHAD179.8°179.9°
CABCACCAFHAF180.0°180.0°
CABCADCAGHAD180.0°179.9°
CADCABCACCAF0.7°0.3°
CABCADCAGCAZ1.0°0.6°
CADCABCACHAC179.3°179.7°
CABCADCAGHAG179.0°179.9°
CADCAGCAZHAG180.0°179.4°
CADCAGCAZCAF1.7°0.9°
CADCAGCAZCAS178.8°180.0°
CAGCADCABHAB179.8°179.7°
CACCAFCAZCAG1.3°0.6°
CACCAFCAZHAF180.0°180.0°
CACCAFCAZCAS178.3°179.7°
CAFCACCABHAB179.3°180.0°
CAGCAZCAFCAS177.0°179.1°
CAGCAZCASCBE92.1°90.0°
CAZCAGCADHAD179.0°179.5°
CAGCAZCAFHAF178.8°179.4°
CAGCAZCASHAS147.9°150.0°
CAGCAZCASHASA27.9°30.0°
CAICAYCAHCAJ0.0°0.3°
CAYCAICAKHAI180.0°180.0°
CAYCAICAKCBA0.0°0.3°
CAICAYCARSAW54.5°90.0°
CAICAYCAHCAR179.6°179.9°
CAICAYCAHHAH180.0°180.0°
CAYCAICAKHAK179.9°180.0°
CAICAYCARHAR174.5°30.0°
CAICAYCARHARA65.5°150.0°
CAHCAJCBACAK0.6°0.0°
CAHCAJCBACAX179.5°179.7°
CAJCAHCAYHAH180.0°179.7°
CAJCAHCAYCAR179.6°179.7°
CAHCAJCBAHAJ180.0°180.0°
CAICAKCBAHAK180.0°179.8°
CAICAKCBACAX179.7°180.0°
CAKCAICAYCAH0.2°0.0°
CAKCAICAYCAR179.8°180.0°
CAICAKCBACAJ0.4°0.2°
CAKCBACAXCAJ179.9°179.7°
CAKCBACAXNBF120.5°138.8°
CBACAKCAIHAI180.0°179.8°
CAKCBACAJHAJ179.4°180.0°
CAOCBECANCAP59.6°61.3°
CBECAOCAQHAO120.0°120.0°
CBECAOCAQHAOA120.0°120.0°
CBECAOCAQNBF0.9°54.6°
CAOCBECASCAZ10.9°175.0°
CAOCBECANCAS126.7°120.0°
CAOCBECANHBE114.9°120.0°
CAOCBECASHBE114.6°119.9°
CAOCBECANHAN179.6°178.7°
CAOCBECANHANA60.4°58.7°
CBECAOHAOHAOA118.5°120.1°
CBECAOCAQHAQ119.1°65.2°
CBECAOCAQHAQA120.9°174.5°
CAOCBECASHAS109.1°55.0°
CAOCBECASHASA130.9°65.0°
CANCAPNBFCAQ33.8°53.6°
CANCAPNBFCAX145.6°126.4°
CAPCANCBEHAN120.0°120.0°
CAPCANCBEHANA120.0°120.0°
CAPCANCBECAS173.7°178.7°
CANCAPNBFHAP120.0°119.8°
CANCAPNBFHAPA120.0°119.9°
CAPCANHANHANA118.9°120.1°
CANCAPHAPHAPA118.8°120.3°
CAPCANCBEHBE55.3°58.6°
CAOCAQNBFHAQ120.0°119.8°
CAOCAQNBFHAQA120.0°119.8°
CAOCAQNBFCAX136.5°126.4°
CAQCAOCBECAN49.9°61.3°
CAQCAOCBECAS171.6°178.7°
CAOCAQNBFCAP43.0°53.6°
CAQCAOHAOHAOA118.6°120.1°
CAOCAQHAQHAQA118.9°120.3°
CAQCAOCBEHBE70.7°58.7°
CAQNBFCAXCBA179.9°174.2°
CAQNBFCAXCAP179.5°179.9°
NBFCAQCAOHAO120.9°65.3°
NBFCAQCAOHAOA119.0°174.6°
CAQNBFCAPHAP86.2°173.4°
CAQNBFCAPHAPA153.8°66.3°
NBFCAQHAQHAQA118.9°120.4°
SAWCARCAYCAH125.9°90.0°
SAWCARCAYHAR120.0°120.0°
SAWCARCAYHARA120.0°120.0°
CARSAWC21N274.7°179.7°
CARSAWC21N3105.3°0.1°
SAWCARHARHARA118.8°119.9°
CBACAXNBFCAP0.6°5.8°
CAXCBACAJHAJ0.5°0.2°
CAXCBACAKHAK0.3°0.2°
NBFCAXCBACAJ59.7°41.4°
CAXNBFCAPHAP94.3°6.7°
CAXNBFCAPHAPA25.6°113.7°
CAXNBFCAQHAQ16.5°113.8°
CAXNBFCAQHAQA103.5°6.6°
CAYCAHCAJCBA0.4°0.3°
CAHCAYCAIHAI179.8°180.0°
CAYCAHCAJHAJ179.6°179.8°
CAHCAYCARHAR5.9°150.0°
CAHCAYCARHARA114.1°30.0°
CAYCARSAWC21113.4°180.0°
CARCAYCAHHAH0.4°0.0°
CARCAYCAIHAI0.2°0.1°
CAYCARHARHARA118.8°120.0°
CAFCAZCASCBE90.8°90.9°
CAZCAFCACHAC180.0°180.0°
CAFCAZCAGHAG178.2°179.7°
CAFCAZCASHAS29.2°29.1°
CAFCAZCASHASA149.2°149.1°
CAZCASCBECAN135.3°64.9°
CAZCASCBEHAS120.0°119.9°
CAZCASCBEHASA120.0°120.0°
CASCAZCAFHAF1.7°0.3°
CASCAZCAGHAG1.2°0.6°
CAZCASHASHASA116.5°120.0°
CAZCASCBEHBE103.7°55.0°
CBACAJCAHHAH179.6°180.0°
CAJCBACAKHAK179.5°180.0°
CANCBECASHBE121.1°120.0°
CBECANCAPNBF18.2°54.6°
CBECANHANHANA118.9°120.0°
CANCBECAOHAO169.9°58.6°
CANCBECAOHAOA70.1°178.7°
CBECANCAPHAP138.2°174.4°
CBECANCAPHAPA101.8°65.3°
CANCBECASHAS15.3°175.1°
CANCBECASHASA104.7°55.0°
CASCBECANHAN53.8°58.7°
CASCBECANHANA66.2°61.4°
CASCBECAOHAO68.4°61.5°
CASCBECAOHAOA51.6°58.7°
CBECASHASHASA116.5°120.1°
NBFCAPCANHAN138.1°174.6°
NBFCAPCANHANA101.9°65.3°
NBFCAPHAPHAPA118.8°120.4°
CAPNBFCAQHAQ162.9°66.1°
CAPNBFCAQHAQA77.0°173.4°
SAWC21N2N3180.0°179.7°
SAWC21N2C22180.0°179.9°
SAWC21N3C23180.0°179.9°
C21SAWCARHAR126.6°59.9°
C21SAWCARHARA6.6°60.0°
SAWC21N2H230.0°0.0°
C21N2C22H23180.0°179.9°
N2C21N3C230.0°0.2°
C21N2C22C24180.0°180.0°
C21N2C22C230.0°0.1°
N3C21N2C220.0°0.2°
C21N3C23C220.0°0.1°
C21N3C23C25180.0°179.9°
N3C21N2H23180.0°179.7°
N2C22C23N30.0°0.0°
N2C22C24C23180.0°179.9°
N2C22C23C25180.0°180.0°
N2C22C24N4180.0°179.8°
N2C22C24H240.0°0.1°
N3C23C22C24180.0°179.9°
N3C23C22C25180.0°180.0°
N3C23C25C26180.0°179.9°
N3C23C25H250.0°0.0°
C24C22C23C250.0°0.1°
C22C24N4H24180.0°179.7°
C22C24N4C260.0°0.3°
C24C22N2H230.0°0.1°
C23C22C24N40.0°0.3°
C22C23C25C260.0°0.1°
C23C22N2H23180.0°179.8°
C23C22C24H24180.0°180.0°
C22C23C25H25180.0°180.0°
C23C25C26H25180.0°179.9°
C23C25C26N40.0°0.1°
C23C25C26H26180.0°180.0°
C24N4C26C250.0°0.1°
C24N4C26H26180.0°179.8°
C25C26N4H26180.0°180.0°
C26N4C24H24180.0°180.0°
N4C26C25H25180.0°180.0°
HABCABCACHAC0.7°0.0°
HABCABCADHAD0.2°0.2°
HACCACCAFHAF0.0°0.1°
HADCADCAGHAG1.0°0.0°
HAHCAHCAJHAJ0.4°0.0°
HAICAICAKHAK0.1°0.0°
HANCANCAPHAP101.8°65.7°
HANCANCAPHAPA18.1°54.7°
HANCANCBEHBE64.7°61.3°
HANACANCAPHAP18.1°54.4°
HANACANCAPHAPA138.1°174.7°
HANACANCBEHBE175.3°178.6°
HAOCAOCAQHAQ0.9°174.9°
HAOCAOCAQHAQA119.1°54.5°
HAOCAOCBEHBE49.3°178.6°
HAOACAOCAQHAQ121.0°54.8°
HAOACAOCAQHAQA0.9°65.5°
HAOACAOCBEHBE169.3°61.3°
HASCASCBEHBE136.3°64.9°
HASACASCBEHBE16.3°175.0°
H25C25C26H260.0°0.0°

238895

PDB entries from 2025-07-16

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