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1W3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAFCATsing1.36Å1.33Å
CAACAOsing1.51Å1.45Å
CATCAOdoub1.39Å1.41ÅAromatic
CATCAPsing1.39Å1.41ÅAromatic
CABCAPsing1.51Å1.42Å
CAOCAKsing1.38Å1.41ÅAromatic
CAPCALdoub1.38Å1.38ÅAromatic
CAKCASdoub1.40Å1.41ÅAromatic
CALCASsing1.40Å1.38ÅAromatic
CASCAGsing1.47Å1.41Å
CAGCAHdoub1.35Å1.55Å
CAHCAUsing1.47Å1.38Å
CACCARsing1.51Å1.39Å
CAUCARdoub1.39Å1.38Å
CAUCAVsing1.47Å1.38Å
OADCAVdoub1.22Å1.23Å
CARCAXsing1.42Å1.37Å
CAVOANsing1.35Å1.37Å
CAXCAJdoub1.40Å1.38ÅAromatic
CAXCAWsing1.41Å1.38ÅAromatic
OANCAWsing1.35Å1.36Å
CAJCAIsing1.36Å1.39ÅAromatic
CAWCAMdoub1.39Å1.39ÅAromatic
CAICAQdoub1.39Å1.39ÅAromatic
CAMCAQsing1.39Å1.39ÅAromatic
CAQOAEsing1.36Å1.37Å
CACH1sing1.09Å1.10Å
CACH2sing1.09Å1.10Å
CACH3sing1.09Å1.10Å
CAJH4sing1.08Å1.08Å
CAIH5sing1.08Å1.08Å
OAEH6sing0.97Å0.95Å
CAMH7sing1.08Å1.08Å
CAHH8sing1.08Å1.08Å
CAGH9sing1.08Å1.08Å
CAKH10sing1.08Å1.08Å
CAAH11sing1.09Å1.10Å
CAAH12sing1.09Å1.10Å
CAAH13sing1.09Å1.10Å
OAFH14sing0.97Å0.95Å
CABH15sing1.09Å1.10Å
CABH16sing1.09Å1.10Å
CABH17sing1.09Å1.10Å
CALH18sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAFCATCAO118.3°119.9°
OAFCATCAP119.4°119.9°
CATOAFH14109.5°114.0°
CAACAOCAT122.9°119.9°
CAACAOCAK120.6°120.0°
CAOCAAH11109.5°109.5°
CAOCAAH12109.4°109.5°
CAOCAAH13109.5°109.5°
CAOCATCAP122.3°120.2°
CATCAOCAK116.5°120.1°
CATCAPCAB121.3°120.0°
CATCAPCAL118.4°120.1°
CABCAPCAL120.3°119.9°
CAPCABH15109.5°109.5°
CAPCABH16109.5°109.5°
CAPCABH17109.5°109.5°
CAOCAKCAS122.3°119.9°
CAOCAKH10118.8°120.0°
CAPCALCAS122.0°119.9°
CAPCALH18119.0°120.1°
CAKCASCAL118.4°119.7°
CAKCASCAG120.5°120.1°
CASCAKH10118.9°120.0°
CALCASCAG121.0°120.1°
CASCALH18119.0°120.0°
CASCAGCAH121.7°120.0°
CASCAGH9119.2°120.0°
CAGCAHCAU121.4°119.9°
CAGCAHH8119.3°120.0°
CAHCAGH9119.2°120.0°
CAHCAUCAR120.0°121.3°
CAHCAUCAV117.0°121.4°
CAUCAHH8119.3°120.0°
CACCARCAU123.0°121.1°
CACCARCAX118.9°121.0°
CARCACH1109.5°109.5°
CARCACH2109.5°109.4°
CARCACH3109.5°109.5°
CARCAUCAV122.9°117.2°
CAUCARCAX118.0°118.0°
CAUCAVOAD121.9°120.9°
CAUCAVOAN116.7°118.0°
OADCAVOAN121.3°121.0°
CARCAXCAJ118.6°120.4°
CARCAXCAW120.2°119.8°
CAVOANCAW122.3°116.3°
CAJCAXCAW121.2°119.8°
CAXCAJCAI119.6°119.9°
CAXCAJH4120.2°120.1°
CAXCAWOAN119.7°120.3°
CAXCAWCAM119.4°119.5°
OANCAWCAM120.8°120.2°
CAJCAICAQ119.8°120.5°
CAICAJH4120.2°120.1°
CAJCAIH5120.1°119.8°
CAWCAMCAQ119.9°119.8°
CAWCAMH7120.0°120.1°
CAICAQCAM120.0°120.5°
CAICAQOAE120.5°119.8°
CAQCAIH5120.1°119.8°
CAMCAQOAE119.5°119.8°
CAQCAMH7120.0°120.1°
CAQOAEH6109.5°114.0°
H1CACH2109.4°109.5°
H1CACH3109.5°109.5°
H2CACH3109.5°109.5°
H11CAAH12109.5°109.4°
H11CAAH13109.5°109.5°
H12CAAH13109.5°109.4°
H15CABH16109.4°109.5°
H15CABH17109.5°109.4°
H16CABH17109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAFCATCAOCAA1.1°0.0°
OAFCATCAOCAP178.7°180.0°
OAFCATCAPCAB0.2°0.1°
OAFCATCAOCAK179.8°180.0°
OAFCATCAPCAL179.5°179.7°
CAACAOCATCAK178.7°180.0°
CAACAOCATCAP179.8°180.0°
CAACAOCAKCAS178.3°180.0°
CAACAOCAKH101.6°0.0°
CAOCAAH11H12120.0°120.0°
CAOCAAH11H13120.0°120.0°
CAOCAAH12H13120.0°120.0°
CAOCATCAPCAB178.9°179.9°
CAOCATCAPCAL1.8°0.3°
CATCAOCAKCAS0.4°0.0°
CATCAOCAKH10179.6°180.0°
CATCAOCAAH1190.7°89.9°
CATCAOCAAH12149.3°30.0°
CATCAOCAAH1329.3°150.0°
CAOCATOAFH14180.0°90.0°
CATCAPCABCAL179.3°179.7°
CAPCATCAOCAK1.5°0.0°
CATCAPCALCAS0.2°0.6°
CAPCATOAFH141.3°90.0°
CATCAPCABH1589.7°90.0°
CATCAPCABH16150.3°150.0°
CATCAPCABH1730.3°30.0°
CATCAPCALH18179.9°180.0°
CABCAPCALCAS179.5°179.8°
CAPCABH15H16120.0°120.0°
CAPCABH15H17120.0°120.0°
CAPCABH16H17120.0°120.0°
CABCAPCALH180.5°0.4°
CAOCAKCASH10180.0°180.0°
CAOCAKCASCAL1.9°0.3°
CAOCAKCASCAG179.6°180.0°
CAKCAOCAAH1190.6°90.0°
CAKCAOCAAH1229.4°150.0°
CAKCAOCAAH13149.3°30.0°
CAPCALCASCAK1.6°0.6°
CAPCALCASH18180.0°179.4°
CAPCALCASCAG179.9°179.7°
CALCAPCABH1589.7°89.7°
CALCAPCABH1630.3°30.3°
CALCAPCABH17150.4°150.3°
CAKCASCALCAG178.4°179.7°
CAKCASCAGCAH142.0°180.0°
CAKCASCAGH938.0°0.0°
CAKCASCALH18178.3°180.0°
CALCASCAGCAH39.6°0.3°
CALCASCAGH9140.4°179.7°
CALCASCAKH10178.1°179.7°
CASCAGCAHH9180.0°179.9°
CASCAGCAHCAU178.9°180.0°
CASCAGCAHH81.1°0.1°
CAGCASCAKH100.4°0.0°
CAGCASCALH180.1°0.3°
CAGCAHCAUH8180.0°179.9°
CAGCAHCAUCAR0.5°180.0°
CAGCAHCAUCAV177.7°0.3°
CAHCAUCARCAC1.8°1.4°
CAHCAUCARCAV178.0°179.7°
CAHCAUCAVOAD1.2°26.2°
CAHCAUCARCAX177.9°178.9°
CAHCAUCAVOAN177.6°154.0°
CAUCAHCAGH91.1°0.1°
CACCARCAUCAX176.1°179.7°
CACCARCAUCAV179.9°178.9°
CACCARCAXCAJ2.0°9.1°
CACCARCAXCAW178.0°170.2°
CARCACH1H2120.0°119.9°
CARCACH1H3120.0°120.0°
CARCACH2H3120.0°120.0°
CARCAUCAVOAD179.3°154.1°
CARCAUCAVOAN4.3°25.7°
CAUCARCAXCAJ178.3°170.6°
CAUCARCAXCAW1.7°10.0°
CAUCARCACH1180.0°90.3°
CAUCARCACH260.0°29.7°
CAUCARCACH360.0°149.7°
CARCAUCAHH8179.5°0.1°
CAUCAVOADOAN176.2°179.7°
CAVCAUCARCAX4.0°0.8°
CAUCAVOANCAW2.4°39.1°
CAVCAUCAHH82.3°179.8°
OADCAVOANCAW178.8°140.6°
CARCAXCAJCAW180.0°179.3°
CARCAXCAWOAN0.0°3.2°
CARCAXCAJCAI179.9°178.3°
CARCAXCAWCAM179.9°177.9°
CAXCARCACH13.9°90.0°
CAXCARCACH2123.9°150.0°
CAXCARCACH3116.1°30.0°
CARCAXCAJH40.1°1.7°
CAVOANCAWCAX0.3°28.1°
CAVOANCAWCAM179.8°153.1°
CAJCAXCAWOAN180.0°176.1°
CAXCAJCAIH4180.0°179.9°
CAJCAXCAWCAM0.1°2.7°
CAXCAJCAICAQ0.0°0.6°
CAXCAJCAIH5180.0°179.4°
CAXCAWOANCAM179.9°178.8°
CAWCAXCAJCAI0.1°2.3°
CAXCAWCAMCAQ0.1°1.4°
CAWCAXCAJH4179.9°177.6°
CAXCAWCAMH7179.9°178.6°
OANCAWCAMCAQ180.0°177.4°
OANCAWCAMH70.0°2.5°
CAJCAICAQH5180.0°180.0°
CAJCAICAQCAM0.1°0.7°
CAJCAICAQOAE180.0°179.2°
CAWCAMCAQCAINaN°0.3°
CAWCAMCAQH7180.0°179.9°
CAWCAMCAQOAE179.9°179.7°
CAICAQCAMOAE179.9°179.9°
CAQCAICAJH4180.0°179.3°
CAICAQOAEH6180.0°90.0°
CAICAQCAMH7180.0°179.7°
CAMCAQCAIH5180.0°179.3°
CAMCAQOAEH60.1°89.9°
OAECAQCAIH50.1°0.8°
OAECAQCAMH70.1°0.4°
H1CACH2H3120.0°120.0°
H4CAJCAIH50.0°0.7°
H8CAHCAGH9178.9°NaN°
H11CAAH12H13120.0°120.0°
H15CABH16H17120.0°120.0°

220113

PDB entries from 2024-05-22

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