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9OU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C2doub1.22Å1.31Å
OAICBJsing1.43Å1.45Å
C2N1sing1.35Å1.30Å
C2N3sing1.34Å1.34Å
N1C8Asing1.37Å1.35Å
OAHCBIsing1.43Å1.43Å
CBJCBHsing1.53Å1.51Å
CBJCBIsing1.53Å1.53Å
N3C4sing1.35Å1.27Å
CASCBHsing1.53Å1.21Å
CASOAWsing1.43Å1.31Å
CBHOAGsing1.43Å1.49Å
CBICATsing1.53Å1.58Å
CATN8sing1.47Å1.51Å
OAWPBMsing1.61Å1.62Å
C8AN8sing1.38Å1.35Å
C8AC4Adoub1.38Å1.53Å
C4C4Asing1.40Å1.45Å
C4O4doub1.22Å1.35Å
CAMCALdoub1.38Å1.41ÅAromatic
CAMCAOsing1.38Å1.42ÅAromatic
N8C7sing1.40Å1.34Å
OAJPBMdoub1.48Å1.49Å
C4AN5sing1.41Å1.50Å
CALCANsing1.38Å1.41ÅAromatic
PBMOAEsing1.61Å1.49Å
PBMOAKsing1.61Å1.52Å
CAOCBBdoub1.40Å1.41ÅAromatic
C7CAQsing1.39Å1.50ÅAromatic
C7C6doub1.39Å1.48ÅAromatic
CANCAPdoub1.38Å1.42ÅAromatic
CBBCAPsing1.40Å1.40ÅAromatic
CBBCAXsing1.48Å1.51Å
N5CAXsing1.35Å1.48Å
N5C6sing1.40Å1.42Å
CAQCAYdoub1.38Å1.38ÅAromatic
CAXOACdoub1.22Å1.20Å
C6CARsing1.38Å1.37ÅAromatic
CAYCAAsing1.51Å1.52Å
CAYCAZsing1.38Å1.26ÅAromatic
CARCAZdoub1.38Å1.26ÅAromatic
CAZCABsing1.51Å1.53Å
N1H1sing0.97Å1.00Å
N3H2sing0.97Å1.00Å
OAKH3sing0.97Å0.95Å
OAEH4sing0.97Å0.95Å
CASH5sing1.09Å1.10Å
CASH6sing1.09Å1.10Å
CBHH7sing1.09Å1.10Å
OAGH8sing0.97Å0.95Å
CBJH9sing1.09Å1.10Å
OAIH10sing0.97Å0.95Å
CBIH11sing1.09Å1.10Å
OAHH12sing0.97Å0.95Å
CATH13sing1.09Å1.10Å
CATH14sing1.09Å1.10Å
CARH15sing1.08Å1.08Å
CABH16sing1.09Å1.10Å
CABH17sing1.09Å1.10Å
CABH18sing1.09Å1.10Å
CAAH19sing1.09Å1.10Å
CAAH20sing1.09Å1.10Å
CAAH21sing1.09Å1.10Å
CAQH22sing1.08Å1.08Å
CAOH23sing1.08Å1.08Å
CAMH24sing1.08Å1.08Å
CALH25sing1.08Å1.08Å
CANH26sing1.08Å1.08Å
CAPH27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C2N1116.9°119.3°
O2C2N3118.0°119.3°
OAICBJCBH108.6°109.5°
OAICBJCBI112.3°109.4°
OAICBJH9102.0°109.4°
CBJOAIH10109.5°114.0°
N1C2N3125.0°121.4°
C2N1C8A121.5°120.1°
C2N1H1119.2°120.0°
C2N3C4122.8°120.7°
C2N3H2118.6°119.6°
N1C8AN8128.8°120.7°
N1C8AC4A113.4°119.2°
C8AN1H1119.2°119.9°
OAHCBICBJ107.1°109.4°
OAHCBICAT108.2°109.5°
OAHCBIH11112.6°109.5°
CBIOAHH12109.5°114.0°
CBHCBJCBI127.1°109.5°
CBJCBHCAS135.1°109.5°
CBJCBHOAG95.7°109.5°
CBJCBHH798.0°109.5°
CBHCBJH9101.5°109.5°
CBJCBICAT107.4°109.5°
CBICBJH9101.3°109.5°
CBJCBIH11111.0°109.5°
N3C4C4A116.6°119.3°
N3C4O4126.2°120.4°
C4N3H2118.6°119.7°
CBHCASOAW129.1°109.5°
CASCBHOAG121.6°109.5°
CBHCASH5104.4°109.5°
CBHCASH6104.4°109.5°
CASCBHH7100.1°109.4°
CASOAWPBM123.1°123.0°
OAWCASH5104.4°109.4°
OAWCASH6104.4°109.5°
OAGCBHH798.2°109.5°
CBHOAGH8109.5°113.9°
CBICATN8112.5°109.4°
CATCBIH11110.3°109.5°
CBICATH13108.7°109.5°
CBICATH14108.7°109.5°
CATN8C8A113.6°120.1°
CATN8C7123.2°120.2°
N8CATH13108.7°109.5°
N8CATH14108.7°109.4°
OAWPBMOAJ113.5°109.5°
OAWPBMOAE97.7°109.5°
OAWPBMOAK108.0°109.4°
N8C8AC4A117.6°120.1°
C8AN8C7121.4°119.7°
C8AC4AC4119.8°119.2°
C8AC4AN5111.2°119.9°
C4AC4O4116.8°120.4°
C4C4AN5128.9°120.9°
CALCAMCAO119.0°120.1°
CAMCALCAN119.3°120.3°
CALCAMH24120.5°119.9°
CAMCALH25120.3°119.8°
CAMCAOCBB120.5°119.9°
CAMCAOH23119.8°120.1°
CAOCAMH24120.5°120.0°
N8C7CAQ122.7°120.6°
N8C7C6130.6°119.6°
OAJPBMOAE111.0°109.5°
OAJPBMOAK114.0°109.5°
C4AN5CAX115.0°120.6°
C4AN5C6127.9°118.6°
CALCANCAP121.7°120.2°
CANCALH25120.4°119.9°
CALCANH26119.2°120.0°
OAEPBMOAK111.4°109.5°
PBMOAEH4109.5°114.0°
PBMOAKH3109.5°114.0°
CAOCBBCAP120.2°119.7°
CAOCBBCAX107.4°120.2°
CBBCAOH23119.8°120.0°
CAQC7C6106.7°119.8°
C7CAQCAY123.1°119.8°
C7CAQH22118.4°120.0°
C7C6N5103.1°119.2°
C7C6CAR122.4°120.0°
CANCAPCBB118.3°119.8°
CAPCANH26119.2°119.9°
CANCAPH27120.8°120.1°
CAPCBBCAX128.8°120.1°
CBBCAPH27120.8°120.1°
CBBCAXN5129.9°120.0°
CBBCAXOAC109.0°120.0°
CAXN5C6116.2°120.7°
N5CAXOAC120.1°120.0°
N5C6CAR133.0°120.7°
CAQCAYCAA114.9°119.8°
CAQCAYCAZ121.1°120.3°
CAYCAQH22118.4°120.2°
C6CARCAZ122.9°119.8°
C6CARH15118.6°120.1°
CAACAYCAZ124.0°119.8°
CAYCAAH19109.5°109.5°
CAYCAAH20109.5°109.5°
CAYCAAH21109.5°109.5°
CAYCAZCAR123.1°120.2°
CAYCAZCAB122.0°119.9°
CARCAZCAB114.8°119.9°
CAZCARH15118.5°120.1°
CAZCABH16109.5°109.4°
CAZCABH17109.5°109.5°
CAZCABH18109.5°109.5°
H5CASH6109.5°109.5°
H13CATH14109.5°109.5°
H16CABH17109.4°109.4°
H16CABH18109.5°109.4°
H17CABH18109.4°109.5°
H19CAAH20109.4°109.5°
H19CAAH21109.5°109.5°
H20CAAH21109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C2N1N3175.2°180.0°
O2C2N1C8A178.4°179.7°
O2C2N3C4174.0°180.0°
O2C2N1H11.5°0.2°
O2C2N3H26.0°0.0°
OAICBJCBIOAH64.7°180.0°
OAICBJCBHCBI139.1°120.0°
OAICBJCBHH9107.0°120.0°
OAICBJCBIH9108.2°120.0°
OAICBJCBHCAS61.7°60.0°
OAICBJCBHOAG150.6°180.0°
OAICBJCBICAT51.3°60.0°
OAICBJCBHH751.4°60.0°
OAICBJCBIH11172.0°60.0°
C2N1C8AH1180.0°179.9°
N1C2N3C410.9°0.0°
C2N1C8AN8173.2°180.0°
C2N1C8AC4A1.7°0.6°
N1C2N3H2169.1°180.0°
N3C2N1C8A6.4°0.3°
C2N3C4H2180.0°180.0°
C2N3C4C4A5.8°0.0°
C2N3C4O4178.4°179.8°
N3C2N1H1173.7°179.8°
N1C8AN8CAT1.4°14.3°
N1C8AN8C4A174.7°179.5°
N1C8AC4AC45.8°0.6°
N1C8AN8C7164.0°165.7°
N1C8AC4AN5175.8°179.3°
OAHCBICBJCBH157.4°60.0°
OAHCBICBJCAT116.1°120.0°
OAHCBICBJH11123.3°120.0°
OAHCBICATH11123.6°120.0°
OAHCBICATN876.3°65.1°
OAHCBICBJH943.4°60.0°
OAHCBICATH1344.1°54.9°
OAHCBICATH14163.2°175.0°
CBHCBJCBIH9114.0°120.1°
CBJCBHCASOAG141.5°120.0°
CBJCBHCASH7112.3°120.0°
CBJCBHCASOAW174.4°175.0°
CBJCBHOAGH799.0°120.0°
CBHCBJCBICAT86.6°180.0°
CBJCBHCASH551.9°65.0°
CBJCBHCASH663.0°55.0°
CBJCBHOAGH8180.0°60.0°
CBHCBJOAIH10180.0°60.0°
CBHCBJCBIH1134.1°60.0°
CBICBJCBHCAS159.2°180.0°
CBICBJCBHOAG11.4°60.0°
CBJCBICATH11121.1°120.0°
CBJCBICATN8168.4°174.9°
CBICBJCBHH787.7°60.0°
CBICBJOAIH1034.4°60.0°
CBJCBIOAHH12180.0°65.0°
CBJCBICATH1371.2°65.0°
CBJCBICATH1448.0°55.0°
N3C4C4AC8A2.2°0.3°
N3C4C4AO4173.4°179.8°
N3C4C4AN5179.7°179.5°
CBHCASOAWH5122.6°120.0°
CBHCASOAWH6122.6°120.0°
CASCBHOAGH7107.2°120.0°
CBHCASOAWPBM82.1°180.0°
CBHCASH5H6111.2°120.0°
CASCBHOAGH826.2°60.0°
CASCBHCBJH945.3°60.0°
OAWCASCBHOAG44.1°65.0°
CASOAWPBMOAJ57.1°55.0°
CASOAWPBMOAE174.1°65.0°
CASOAWPBMOAK70.4°175.0°
OAWCASH5H6111.2°120.0°
OAWCASCBHH762.1°55.0°
OAGCBHCASH5166.7°54.9°
OAGCBHCASH678.5°175.0°
OAGCBHCBJH9102.5°60.0°
CBICATN8H13120.4°120.0°
CBICATN8H14120.4°119.9°
CBICATN8C8A89.0°95.2°
CBICATN8C776.1°84.9°
CATCBICBJH9159.5°59.9°
CATCBIOAHH1264.5°55.0°
CBICATH13H14118.6°120.0°
CATN8C8AC7165.4°180.0°
CATN8C8AC4A176.1°166.3°
CATN8C7CAQ0.5°13.7°
CATN8C7C6177.5°166.3°
N8CATCBIH1147.3°54.9°
N8CATH13H14118.6°120.0°
OAWPBMOAJOAE109.0°120.0°
OAWPBMOAJOAK124.2°120.0°
OAWPBMOAEOAK112.8°120.0°
OAWPBMOAKH3127.2°180.0°
OAWPBMOAEH4118.9°60.0°
PBMOAWCASH5155.3°60.0°
PBMOAWCASH640.4°60.0°
N8C8AC4AC4169.7°180.0°
N8C8AC4AN58.7°0.2°
C8AN8C7CAQ163.4°166.3°
C8AN8C7C613.5°13.7°
N8C8AN1H16.8°0.0°
C8AN8CATH1331.5°24.9°
C8AN8CATH14150.6°144.9°
C8AC4AC4N5178.2°179.8°
C8AC4AC4O4171.2°179.9°
C4AC8AN8C710.8°13.8°
C8AC4AN5CAX135.7°166.7°
C8AC4AN5C632.9°13.3°
C4AC8AN1H1178.3°179.5°
C4C4AN5CAX46.0°13.5°
C4C4AN5C6145.4°166.6°
C4AC4N3H2174.2°180.0°
O4C4C4AN57.0°0.3°
O4C4N3H21.5°0.2°
CALCAMCAOH24180.0°179.9°
CAMCALCANH25180.0°179.9°
CALCAMCAOCBB3.2°0.1°
CAMCALCANCAP0.8°0.0°
CALCAMCAOH23176.8°180.0°
CAMCALCANH26179.3°179.9°
CAOCAMCALCAN1.6°0.1°
CAMCAOCBBH23180.0°179.9°
CAMCAOCBBCAP10.5°0.0°
CAMCAOCBBCAX170.9°179.7°
CAOCAMCALH25178.4°180.0°
N8C7CAQC6177.6°180.0°
N8C7C6N55.9°0.1°
N8C7CAQCAY178.8°180.0°
N8C7C6CAR173.8°180.0°
C7N8CATH13163.5°155.1°
C7N8CATH1444.3°35.1°
N8C7CAQH221.2°0.0°
OAJPBMOAEOAK128.2°120.0°
OAJPBMOAKH30.0°60.0°
OAJPBMOAEH40.0°180.0°
C4AN5C6C729.9°13.1°
C4AN5CAXCBB11.5°29.8°
C4AN5CAXC6170.0°180.0°
C4AN5CAXOAC178.3°150.3°
C4AN5C6CAR164.1°166.7°
CALCANCAPH26180.0°179.9°
CALCANCAPCBB7.9°0.0°
CANCALCAMH24178.4°180.0°
CALCANCAPH27172.1°179.7°
OAEPBMOAKH3126.6°60.0°
OAKPBMOAEH4128.2°60.0°
CAOCBBCAPCAN12.6°0.0°
CAOCBBCAPCAX155.8°179.7°
CAOCBBCAXN553.5°14.9°
CAOCBBCAXOAC114.5°165.0°
CBBCAOCAMH24176.8°180.0°
CAOCBBCAPH27167.4°179.7°
CAQC7C6N5176.8°179.9°
C7CAQCAYH22180.0°179.9°
CAQC7C6CAR8.9°0.0°
C7CAQCAYCAA179.9°180.0°
C7CAQCAYCAZ1.7°0.0°
C7C6N5CAX138.5°166.8°
C7C6N5CAR166.0°179.9°
C6C7CAQCAY3.6°0.0°
C7C6CARCAZ9.7°0.0°
C7C6CARH15170.3°179.9°
C6C7CAQH22176.4°179.9°
CANCAPCBBH27180.0°179.7°
CANCAPCBBCAX168.4°179.7°
CAPCANCALH25179.2°179.9°
CAPCBBCAXN5148.2°164.8°
CAPCBBCAXOAC43.7°15.3°
CAPCBBCAOH23169.5°180.0°
CBBCAPCANH26172.2°180.0°
CBBCAXN5OAC166.9°179.9°
CBBCAXN5C6158.5°150.2°
CAXCBBCAOH239.1°0.3°
CAXCBBCAPH2711.6°0.0°
CAXN5C6CAR27.5°13.3°
C6N5CAXOAC8.4°29.7°
N5C6CARCAZ173.5°179.9°
N5C6CARH156.5°0.2°
CAQCAYCAACAZ178.3°180.0°
CAQCAYCAZCAR2.4°0.0°
CAQCAYCAZCAB179.4°180.0°
CAQCAYCAAH1990.7°90.0°
CAQCAYCAAH20149.3°30.0°
CAQCAYCAAH2129.3°150.0°
C6CARCAZCAY3.3°0.0°
C6CARCAZH15180.0°179.9°
C6CARCAZCAB173.9°180.0°
CAACAYCAZCAR179.4°180.0°
CAACAYCAZCAB2.5°0.0°
CAYCAAH19H20120.0°120.1°
CAYCAAH19H21120.0°120.0°
CAYCAAH20H21120.0°120.0°
CAACAYCAQH220.1°0.0°
CAYCAZCARCAB177.2°180.0°
CAYCAZCARH15176.7°179.9°
CAYCAZCABH1688.4°90.0°
CAYCAZCABH17151.6°29.9°
CAYCAZCABH1831.6°150.0°
CAZCAYCAAH1991.0°90.0°
CAZCAYCAAH2029.0°150.0°
CAZCAYCAAH21149.0°30.0°
CAZCAYCAQH22178.2°179.9°
CARCAZCABH1688.8°90.0°
CARCAZCABH1731.2°150.1°
CARCAZCABH18151.2°30.0°
CABCAZCARH156.1°0.0°
CAZCABH16H17120.0°120.0°
CAZCABH16H18120.0°120.0°
CAZCABH17H18120.0°120.1°
H5CASCBHH760.5°175.0°
H6CASCBHH7175.3°65.0°
H7CBHOAGH881.0°180.0°
H7CBHCBJH9158.4°179.9°
H9CBJOAIH1073.4°180.0°
H9CBJCBIH1179.9°180.0°
H11CBIOAHH1257.8°175.0°
H11CBICATH13167.7°175.0°
H11CBICATH1473.1°65.0°
H16CABH17H18120.0°120.0°
H19CAAH20H21120.0°119.9°
H23CAOCAMH243.2°0.1°
H24CAMCALH251.6°0.1°
H25CALCANH260.7°0.0°
H26CANCAPH277.8°0.3°

226262

PDB entries from 2024-10-16

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