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NXP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NABCAPsing1.40Å1.43Å
NABCAOsing1.35Å1.33Å
CAPCAUsing1.39Å1.40ÅAromatic
CAPCAQdoub1.39Å1.40ÅAromatic
CAUCATdoub1.38Å1.40ÅAromatic
CATCASsing1.40Å1.39ÅAromatic
CASCARdoub1.40Å1.40ÅAromatic
CASCAVsing1.47Å1.52Å
CARCAQsing1.38Å1.39ÅAromatic
CAVCAWsing1.51Å1.52Å
CAVNACdoub1.30Å1.34Å
NACNADsing1.40Å1.26Å
NADCAXsing1.38Å1.33Å
CAXNAFdoub1.30Å1.31Å
CAXNAEsing1.38Å1.33Å
OAYCAOdoub1.22Å1.23Å
CAOCANsing1.47Å1.51Å
CANCAMdoub1.36Å1.39ÅAromatic
CANCAKsing1.47Å1.40ÅAromatic
CAMNAAsing1.35Å1.36ÅAromatic
NAACAJsing1.38Å1.35ÅAromatic
CAJCAIdoub1.39Å1.40ÅAromatic
CAJCAKsing1.40Å1.40ÅAromatic
CAICAHsing1.38Å1.39ÅAromatic
CAHCAGdoub1.39Å1.39ÅAromatic
CAGCALsing1.38Å1.41ÅAromatic
CALCAKdoub1.39Å1.38ÅAromatic
CAUHAUsing1.08Å1.08Å
CAQHAQsing1.08Å1.08Å
CATHATsing1.08Å1.08Å
CARHARsing1.08Å1.08Å
CAWHAW1sing1.09Å1.10Å
CAWHAW2sing1.09Å1.10Å
CAWHAW3sing1.09Å1.10Å
NAFHAFsing0.97Å1.00Å
NAEHAE1sing0.97Å1.00Å
NAEHAE2sing0.97Å1.00Å
CAMHAMsing1.08Å1.08Å
NAAHAAsing0.97Å1.00Å
CAIHAIsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
NADHADsing0.97Å1.00Å
NABHABsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAPNABCAO137.5°120.0°
NABCAPCAU115.1°119.9°
NABCAPCAQ127.0°119.9°
CAPNABHAB111.3°120.0°
NABCAOOAY124.3°120.0°
NABCAOCAN107.9°120.0°
CAONABHAB111.2°119.9°
CAUCAPCAQ117.8°120.2°
CAPCAUCAT122.2°120.1°
CAPCAUHAU118.9°120.0°
CAPCAQCAR119.9°120.1°
CAPCAQHAQ120.0°120.0°
CAUCATCAS119.8°119.9°
CATCAUHAU118.9°120.0°
CAUCATHAT120.1°120.0°
CATCASCAR117.9°119.8°
CATCASCAV121.4°120.1°
CASCATHAT120.1°120.0°
CARCASCAV120.7°120.1°
CASCARCAQ122.2°119.9°
CASCARHAR118.9°120.0°
CASCAVCAW123.6°120.0°
CASCAVNAC119.9°120.0°
CARCAQHAQ120.0°119.9°
CAQCARHAR118.9°120.1°
CAWCAVNAC116.4°120.0°
CAVCAWHAW1109.5°109.4°
CAVCAWHAW2109.5°109.5°
CAVCAWHAW3109.5°109.5°
CAVNACNAD122.1°120.0°
NACNADCAX117.6°120.0°
NACNADHAD121.2°120.0°
NADCAXNAF118.6°120.0°
NADCAXNAE122.8°120.0°
CAXNADHAD121.2°120.0°
NAFCAXNAE118.5°120.0°
CAXNAFHAF112.0°120.0°
CAXNAEHAE1120.0°120.0°
CAXNAEHAE2120.0°120.0°
OAYCAOCAN127.7°120.0°
CAOCANCAM126.7°126.8°
CAOCANCAK126.1°126.8°
CAMCANCAK107.2°106.5°
CANCAMNAA107.9°109.8°
CANCAMHAM126.0°125.1°
CANCAKCAJ107.0°105.9°
CANCAKCAL133.4°134.0°
CAMNAACAJ110.0°110.4°
NAACAMHAM126.1°125.1°
CAMNAAHAA125.0°124.8°
NAACAJCAI130.6°133.2°
NAACAJCAK107.8°107.4°
CAJNAAHAA125.0°124.7°
CAICAJCAK121.5°119.4°
CAJCAICAH118.9°120.0°
CAJCAIHAI120.5°120.1°
CAJCAKCAL119.5°120.1°
CAICAHCAG119.7°120.6°
CAHCAIHAI120.5°119.9°
CAICAHHAH120.2°119.7°
CAHCAGCAL121.4°120.3°
CAGCAHHAH120.2°119.6°
CAHCAGHAG119.3°119.9°
CAGCALCAK118.9°119.7°
CALCAGHAG119.3°119.9°
CAGCALHAL120.5°120.2°
CAKCALHAL120.6°120.1°
HAW1CAWHAW2109.5°109.5°
HAW1CAWHAW3109.4°109.5°
HAW2CAWHAW3109.5°109.5°
HAE1NAEHAE2120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAPNABCAOHAB180.0°179.8°
NABCAPCAUCAQ179.7°179.8°
NABCAPCAUCAT178.8°180.0°
NABCAPCAQCAR178.6°179.7°
CAPNABCAOOAY1.4°4.6°
CAPNABCAOCAN179.6°175.4°
NABCAPCAUHAU1.2°0.0°
NABCAPCAQHAQ1.4°0.1°
CAONABCAPCAU176.9°144.8°
CAONABCAPCAQ2.9°35.3°
NABCAOOAYCAN178.8°180.0°
NABCAOCANCAM9.3°0.1°
NABCAOCANCAK170.3°179.8°
CAPCAUCATHAU180.0°180.0°
CAPCAUCATCAS1.7°0.0°
CAUCAPCAQCAR1.7°0.4°
CAUCAPCAQHAQ178.3°179.7°
CAPCAUCATHAT178.2°180.0°
CAUCAPNABHAB3.1°35.4°
CAQCAPCAUCAT1.5°0.2°
CAPCAQCARCAS2.3°0.4°
CAPCAQCARHAQ180.0°179.9°
CAQCAPCAUHAU178.5°179.8°
CAPCAQCARHAR177.7°179.8°
CAQCAPNABHAB177.1°144.4°
CAUCATCASHAT180.0°179.9°
CAUCATCASCAR2.2°0.0°
CAUCATCASCAV179.5°180.0°
CATCASCARCAV177.4°180.0°
CATCASCARCAQ2.5°0.2°
CATCASCAVCAW161.9°180.0°
CATCASCAVNAC19.4°0.0°
CASCATCAUHAU178.2°180.0°
CATCASCARHAR177.5°180.0°
CASCARCAQHAR180.0°179.8°
CARCASCAVCAW20.8°0.0°
CARCASCAVNAC157.9°180.0°
CASCARCAQHAQ177.6°179.7°
CARCASCATHAT177.8°180.0°
CAVCASCARCAQ179.9°179.8°
CASCAVCAWNAC178.8°180.0°
CASCAVNACNAD178.0°180.0°
CAVCASCATHAT0.4°0.0°
CAVCASCARHAR0.1°0.0°
CASCAVCAWHAW1180.0°90.0°
CASCAVCAWHAW260.0°150.0°
CASCAVCAWHAW360.0°30.0°
CAWCAVNACNAD0.8°0.1°
CAVCAWHAW1HAW2120.0°120.0°
CAVCAWHAW1HAW3120.0°120.0°
CAVCAWHAW2HAW3120.0°120.0°
CAVNACNADCAX178.6°180.0°
NACCAVCAWHAW11.2°90.1°
NACCAVCAWHAW2121.2°30.0°
NACCAVCAWHAW3118.8°150.0°
CAVNACNADHAD1.4°0.1°
NACNADCAXHAD180.0°179.9°
NACNADCAXNAF0.7°0.0°
NACNADCAXNAE178.7°180.0°
NADCAXNAFNAE179.5°180.0°
NADCAXNAFHAF179.5°180.0°
NADCAXNAEHAE1179.5°0.0°
NADCAXNAEHAE20.5°180.0°
NAFCAXNAEHAE10.0°180.0°
NAFCAXNAEHAE2180.0°0.0°
NAFCAXNADHAD179.3°180.0°
NAECAXNAFHAF0.0°0.0°
CAXNAEHAE1HAE2180.0°180.0°
NAECAXNADHAD1.3°0.0°
OAYCAOCANCAM169.6°180.0°
OAYCAOCANCAK10.8°0.3°
OAYCAONABHAB178.6°175.1°
CAOCANCAMCAK179.7°179.8°
CAOCANCAMNAA179.9°180.0°
CAOCANCAKCAJ179.9°179.9°
CAOCANCAKCAL0.4°0.8°
CAOCANCAMHAM0.0°0.0°
CANCAONABHAB0.4°4.8°
CANCAMNAAHAM180.0°180.0°
CANCAMNAACAJ0.2°0.0°
CAMCANCAKCAJ0.2°0.4°
CAMCANCAKCAL180.0°179.5°
CANCAMNAAHAA179.8°180.0°
CAKCANCAMNAA0.3°0.2°
CANCAKCAJNAA0.1°0.4°
CANCAKCAJCAI179.9°179.8°
CANCAKCAJCAL179.8°179.3°
CANCAKCALCAG179.8°179.5°
CAKCANCAMHAM179.7°179.8°
CANCAKCALHAL0.2°0.7°
CAMNAACAJHAA180.0°180.0°
CAMNAACAJCAI179.7°180.0°
CAMNAACAJCAK0.1°0.2°
NAACAJCAICAK179.8°179.8°
NAACAJCAICAH179.7°180.0°
NAACAJCAKCAL179.9°179.6°
CAJNAACAMHAM179.8°180.0°
NAACAJCAIHAI0.3°0.1°
CAJCAICAHHAI180.0°179.9°
CAJCAICAHCAG0.5°0.1°
CAICAJCAKCAL0.3°0.5°
CAICAJNAAHAA0.3°0.1°
CAJCAICAHHAH179.5°180.0°
CAKCAJCAICAH0.5°0.2°
CAJCAKCALCAG0.1°0.5°
CAKCAJNAAHAA179.9°179.8°
CAKCAJCAIHAI179.5°179.7°
CAJCAKCALHAL179.9°179.7°
CAICAHCAGHAH180.0°179.8°
CAICAHCAGCAL0.3°0.1°
CAICAHCAGHAG179.7°179.9°
CAHCAGCALHAG180.0°180.0°
CAHCAGCALCAK0.1°0.2°
CAGCAHCAIHAI179.5°180.0°
CAHCAGCALHAL179.9°179.9°
CAGCALCAKHAL180.0°179.7°
CALCAGCAHHAH179.7°180.0°
CAKCALCAGHAG179.9°179.7°
HAUCAUCATHAT1.8°0.0°
HAQCAQCARHAR2.4°0.1°
HAW1CAWHAW2HAW3120.0°120.0°
HAMCAMNAAHAA0.2°0.0°
HAICAICAHHAH0.5°0.1°
HAHCAHCAGHAG0.3°0.1°
HAGCAGCALHAL0.1°0.0°

222415

PDB entries from 2024-07-10

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