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SummaryGeometryPCM/PTMRelated PDB entries

DEU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CMBC3Bsing1.50Å1.51Å
CMBHMB1sing0.97Å1.10Å
CMBHMB2sing0.97Å1.10Å
CMBHMB3sing0.97Å1.10Å
CMCC3Csing1.50Å1.51Å
CMCHMC1sing0.97Å1.10Å
CMCHMC2sing0.97Å1.10Å
CMCHMC3sing0.97Å1.10Å
CMAC3Asing1.51Å1.51Å
CMAHMA1sing0.97Å1.10Å
CMAHMA2sing0.97Å1.10Å
CMAHMA3sing0.97Å1.10Å
CMDC2Dsing1.51Å1.52Å
CMDHMD1sing0.97Å1.10Å
CMDHMD2sing0.97Å1.10Å
CMDHMD3sing0.97Å1.10Å
CAACBAsing1.53Å1.54Å
CAAC2Asing1.51Å1.52Å
CAAHAA1sing0.98Å1.10Å
CAAHAA2sing0.98Å1.10Å
CBACGAsing1.53Å1.50Å
CBAHBA1sing0.98Å1.10Å
CBAHBA2sing0.99Å1.10Å
CGAO1Adoub1.25Å1.22Å
CGAO2Asing1.25Å11.30Å
CADCBDsing1.53Å1.55Å
CADC3Dsing1.51Å1.52Å
CADHAD1sing0.98Å1.10Å
CADHAD2sing0.98Å1.10Å
CBDCGDsing1.53Å1.51Å
CBDHBD1sing0.99Å1.10Å
CBDHBD2sing0.99Å1.10Å
CGDO1Ddoub1.25Å1.22Å
CGDO2Dsing1.25Å9.58Å
C2AC3Adoub1.36Å1.39Å
C2AC1Asing1.38Å1.40Å
C3AC4Asing1.37Å1.39Å
C4ANAdoub1.37Å1.34Å
C4ACHBsing1.39Å1.40Å
NAC1Asing1.37Å1.34Å
NACOsing2.03Å2.07Å
C1ACHAdoub1.39Å1.39Å
CHBC1Bdoub1.41Å1.39Å
CHBHHBsing0.95Å1.08Å
C1BC2Bsing1.38Å1.39Å
C1BNBsing1.36Å1.34Å
C2BC3Bdoub1.36Å1.38Å
C2BH2Bsing0.95Å1.08Å
C3BC4Bsing1.38Å1.40Å
C4BNBsing1.37Å1.34Å
C4BCHCdoub1.38Å1.39Å
NBCOsing2.02Å2.07Å
CHCC1Csing1.42Å1.39Å
CHCHHCsing0.95Å1.08Å
C1CC2Csing1.38Å1.38Å
C1CNCdoub1.37Å1.34Å
C2CC3Cdoub1.36Å1.37Å
C2CH2Csing0.95Å1.08Å
C3CC4Csing1.39Å1.40Å
C4CNCsing1.37Å1.34Å
C4CCHDdoub1.39Å1.40Å
NCCOsing2.02Å2.06Å
CHDC1Dsing1.40Å1.40Å
CHDHHDsing0.95Å1.08Å
C1DC2Ddoub1.37Å1.40ÅAromatic
C1DNDsing1.37Å1.34ÅAromatic
C2DC3Dsing1.36Å1.38ÅAromatic
C3DC4Ddoub1.38Å1.39ÅAromatic
C4DNDsing1.37Å1.34ÅAromatic
C4DCHAsing1.39Å1.40Å
NDCOsing2.03Å2.06Å
CHAHHAsing0.95Å1.08Å
O2DH2Dsing14.99Å0.95Å
O2AH2Asing14.23Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C3BCMBHMB1109.5°109.6°
C3BCMBHMB2109.5°109.6°
C3BCMBHMB3109.4°109.5°
CMBC3BC2B123.0°123.5°
CMBC3BC4B131.5°129.0°
HMB1CMBHMB2109.5°109.4°
HMB1CMBHMB3109.4°109.4°
HMB2CMBHMB3109.5°109.4°
C3CCMCHMC1109.5°109.7°
C3CCMCHMC2109.5°109.6°
C3CCMCHMC3109.4°109.5°
CMCC3CC2C122.2°123.2°
CMCC3CC4C131.6°129.3°
HMC1CMCHMC2109.5°109.3°
HMC1CMCHMC3109.4°109.4°
HMC2CMCHMC3109.5°109.3°
C3ACMAHMA1109.5°110.6°
C3ACMAHMA2109.5°109.7°
C3ACMAHMA3109.5°109.5°
CMAC3AC2A129.4°124.8°
CMAC3AC4A123.8°127.7°
HMA1CMAHMA2109.5°108.7°
HMA1CMAHMA3109.4°109.2°
HMA2CMAHMA3109.5°109.2°
C2DCMDHMD1109.5°109.7°
C2DCMDHMD2109.5°110.6°
C2DCMDHMD3109.4°109.4°
CMDC2DC1D129.1°127.9°
CMDC2DC3D124.6°124.5°
HMD1CMDHMD2109.5°108.7°
HMD1CMDHMD3109.5°109.2°
HMD2CMDHMD3109.5°109.2°
CBACAAC2A112.7°114.2°
CBACAAHAA1108.4°108.5°
CBACAAHAA2107.7°108.7°
CAACBACGA116.7°114.5°
CAACBAHBA1107.1°108.8°
CAACBAHBA2105.5°108.7°
C2ACAAHAA1108.4°109.3°
C2ACAAHAA2107.7°109.9°
CAAC2AC3A127.7°126.2°
CAAC2AC1A126.4°126.8°
HAA1CAAHAA2112.1°106.0°
CGACBAHBA1107.1°108.6°
CGACBAHBA2105.5°108.5°
CBACGAO1A122.5°118.0°
CBACGAO2A61.3°118.0°
HBA1CBAHBA2115.3°107.4°
O1ACGAO2A125.5°124.0°
CGAO2AH2A61.3°89.1°
CBDCADC3D113.7°114.2°
CBDCADHAD1108.1°108.7°
CBDCADHAD2107.2°108.5°
CADCBDCGD117.1°114.6°
CADCBDHBD1107.0°108.7°
CADCBDHBD2105.3°108.8°
C3DCADHAD1108.1°109.9°
C3DCADHAD2107.1°109.3°
CADC3DC2D125.6°126.2°
CADC3DC4D127.9°126.7°
HAD1CADHAD2112.8°105.9°
CGDCBDHBD1107.0°108.6°
CGDCBDHBD2105.2°108.5°
CBDCGDO1D120.8°118.0°
CBDCGDO2D90.3°117.9°
HBD1CBDHBD2115.6°107.4°
O1DCGDO2D140.6°124.1°
CGDO2DH2D90.3°45.5°
C3AC2AC1A105.9°107.1°
C2AC3AC4A106.8°107.6°
C2AC1ANA109.3°110.0°
C2AC1ACHA125.2°126.6°
C3AC4ANA109.0°109.9°
C3AC4ACHB124.5°127.7°
NAC4ACHB126.5°122.4°
C4ANAC1A108.7°105.5°
C4ANACO125.7°128.3°
C4ACHBC1B125.4°127.4°
C4ACHBHHB117.3°118.6°
C1ANACO125.5°126.1°
NAC1ACHA125.5°123.4°
NACONB89.8°90.4°
NACONC179.0°179.3°
NACOND90.7°91.4°
C1ACHAC4D127.0°129.5°
C1ACHAHHA116.5°115.2°
C1BCHBHHB117.3°113.9°
CHBC1BC2B123.6°123.3°
CHBC1BNB127.3°125.4°
C2BC1BNB109.1°111.3°
C1BC2BC3B107.7°106.5°
C1BC2BH2B126.2°127.6°
C1BNBC4B108.1°104.6°
C1BNBCO125.0°125.9°
C3BC2BH2B126.2°125.9°
C2BC3BC4B105.5°107.4°
C3BC4BNB109.5°110.2°
C3BC4BCHC125.8°126.7°
NBC4BCHC124.6°123.1°
C4BNBCO126.8°129.5°
C4BCHCC1C125.9°125.7°
C4BCHCHHC117.0°118.8°
NBCONC89.8°88.9°
NBCOND177.7°178.2°
C1CCHCHHC117.1°115.5°
CHCC1CC2C122.9°123.2°
CHCC1CNC128.4°125.4°
C2CC1CNC108.7°111.3°
C1CC2CC3C107.7°106.4°
C1CC2CH2C126.1°127.7°
C1CNCC4C109.1°104.7°
C1CNCCO124.3°127.2°
C3CC2CH2C126.2°125.9°
C2CC3CC4C106.2°107.6°
C3CC4CNC108.4°110.1°
C3CC4CCHD126.1°126.4°
NCC4CCHD125.5°123.5°
C4CNCCO126.6°128.1°
C4CCHDC1D126.2°128.2°
C4CCHDHHD116.9°115.1°
NCCOND89.7°89.3°
C1DCHDHHD116.9°116.7°
CHDC1DC2D125.6°127.6°
CHDC1DND125.9°122.7°
C2DC1DND108.5°109.8°
C1DC2DC3D106.2°107.6°
C1DNDC4D109.1°105.7°
C1DNDCO126.0°128.3°
C2DC3DC4D106.5°107.0°
C3DC4DND108.6°109.9°
C3DC4DCHA125.0°126.6°
NDC4DCHA126.3°123.5°
C4DNDCO124.9°126.1°
C4DCHAHHA116.5°115.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C3BCMBHMB1HMB2120.0°120.1°
C3BCMBHMB1HMB3120.0°120.1°
C3BCMBHMB2HMB3120.0°120.1°
CMBC3BC2BC1B178.5°179.9°
CMBC3BC2BC4B177.5°179.8°
CMBC3BC2BH2B1.5°0.2°
CMBC3BC4BNB179.4°179.9°
CMBC3BC4BCHC1.2°0.1°
HMB1CMBHMB2HMB3120.0°119.7°
HMB1CMBC3BC2B157.4°139.3°
HMB1CMBC3BC4B25.8°40.9°
HMB2CMBC3BC2B82.5°19.3°
HMB2CMBC3BC4B94.3°160.9°
HMB3CMBC3BC2B37.5°100.7°
HMB3CMBC3BC4B145.7°79.1°
C3CCMCHMC1HMC2120.0°120.2°
C3CCMCHMC1HMC3120.0°120.1°
C3CCMCHMC2HMC3120.0°120.1°
CMCC3CC2CC1C179.4°179.9°
CMCC3CC2CC4C179.0°179.7°
CMCC3CC2CH2C0.7°0.3°
CMCC3CC4CNC178.1°179.8°
CMCC3CC4CCHD2.5°0.2°
HMC1CMCHMC2HMC3120.0°119.7°
HMC1CMCC3CC2C151.1°140.1°
HMC1CMCC3CC4C30.1°40.2°
HMC2CMCC3CC2C88.8°20.1°
HMC2CMCC3CC4C89.9°160.2°
HMC3CMCC3CC2C31.2°99.8°
HMC3CMCC3CC4C150.1°79.9°
C3ACMAHMA1HMA2120.0°120.4°
C3ACMAHMA1HMA3120.0°120.5°
C3ACMAHMA2HMA3120.0°120.0°
CMAC3AC2ACAA7.2°0.3°
CMAC3AC2AC4A179.2°180.0°
CMAC3AC2AC1A175.5°179.9°
CMAC3AC4ANA177.2°179.9°
CMAC3AC4ACHB4.0°0.0°
HMA1CMAHMA2HMA3119.9°119.0°
HMA1CMAC3AC2A156.4°171.5°
HMA1CMAC3AC4A24.6°8.5°
HMA2CMAC3AC2A36.4°51.7°
HMA2CMAC3AC4A144.6°128.3°
HMA3CMAC3AC2A83.6°68.2°
HMA3CMAC3AC4A95.4°111.9°
C2DCMDHMD1HMD2120.0°121.1°
C2DCMDHMD1HMD3120.0°119.9°
C2DCMDHMD2HMD3120.0°120.5°
CMDC2DC3DCAD9.0°0.2°
CMDC2DC1DCHD6.2°0.6°
CMDC2DC1DC3D177.7°179.4°
CMDC2DC1DND174.3°179.6°
CMDC2DC3DC4D172.1°179.6°
HMD1CMDHMD2HMD3120.0°119.0°
HMD1CMDC2DC1D159.3°128.5°
HMD1CMDC2DC3D23.3°52.2°
HMD2CMDC2DC1D80.7°8.5°
HMD2CMDC2DC3D96.7°172.2°
HMD3CMDC2DC1D39.3°111.8°
HMD3CMDC2DC3D143.3°67.5°
CBACAAC2AHAA1120.0°121.7°
CBACAAC2AHAA2118.6°122.4°
CBACAAHAA1HAA2118.7°116.6°
CAACBACGAHBA1120.0°121.8°
CAACBACGAHBA2116.7°121.7°
CAACBAHBA1HBA2117.0°117.6°
CAACBACGAO1A53.1°95.7°
CAACBACGAO2A62.8°84.3°
CBACAAC2AC3A85.3°92.6°
CBACAAC2AC1A91.5°87.0°
C2ACAAHAA1HAA2118.7°118.3°
C2ACAACBACGA86.0°179.3°
C2ACAACBAHBA1154.0°57.6°
C2ACAACBAHBA230.7°59.2°
CAAC2AC3AC1A177.3°179.7°
CAAC2AC3AC4A172.0°179.8°
CAAC2AC1ANA172.1°179.7°
CAAC2AC1ACHA7.4°0.1°
HAA1CAACBACGA154.0°57.1°
HAA1CAACBAHBA134.1°64.6°
HAA1CAACBAHBA289.3°178.7°
HAA1CAAC2AC3A154.8°145.7°
HAA1CAAC2AC1A28.5°34.7°
HAA2CAACBACGA32.6°57.7°
HAA2CAACBAHBA187.4°179.4°
HAA2CAACBAHBA2149.3°63.9°
HAA2CAAC2AC3A33.3°29.8°
HAA2CAAC2AC1A149.9°150.6°
CGACBAHBA1HBA2117.0°117.2°
CBACGAO1AO2A75.8°180.0°
CBACGAO2AH2A180.0°14.7°
HBA1CBACGAO1A66.8°142.4°
HBA1CBACGAO2A177.3°37.6°
HBA2CBACGAO1A169.8°26.0°
HBA2CBACGAO2A53.9°154.1°
O1ACGAO2AH2A68.9°165.3°
CBDCADC3DHAD1120.0°122.5°
CBDCADC3DHAD2118.2°121.8°
CBDCADHAD1HAD2118.3°116.4°
CADCBDCGDHBD1120.0°121.8°
CADCBDCGDHBD2116.5°121.7°
CADCBDHBD1HBD2116.9°117.5°
CADCBDCGDO1D88.3°84.3°
CADCBDCGDO2D66.1°95.6°
CBDCADC3DC2D88.5°92.9°
CBDCADC3DC4D90.1°86.9°
C3DCADHAD1HAD2118.3°117.9°
C3DCADCBDCGD66.2°176.6°
C3DCADCBDHBD1173.8°61.7°
C3DCADCBDHBD250.3°55.0°
CADC3DC2DC1D168.8°179.6°
CADC3DC2DC4D178.8°179.8°
CADC3DC4DND170.1°179.7°
CADC3DC4DCHA10.5°0.0°
HAD1CADCBDCGD173.8°60.3°
HAD1CADCBDHBD153.8°61.4°
HAD1CADCBDHBD269.7°178.1°
HAD1CADC3DC2D151.5°29.5°
HAD1CADC3DC4D29.9°150.6°
HAD2CADCBDCGD52.0°54.5°
HAD2CADCBDHBD168.0°176.1°
HAD2CADCBDHBD2168.5°67.2°
HAD2CADC3DC2D29.7°145.3°
HAD2CADC3DC4D151.7°34.9°
CGDCBDHBD1HBD2116.8°117.2°
CBDCGDO1DO2D137.1°179.9°
CBDCGDO2DH2D180.0°0.3°
HBD1CBDCGDO1D31.7°154.0°
HBD1CBDCGDO2D173.8°26.1°
HBD2CBDCGDO1D155.2°37.5°
HBD2CBDCGDO2D50.4°142.6°
O1DCGDO2DH2D35.8°179.6°
C2AC3AC4ANA3.6°0.1°
C2AC3AC4ACHB175.2°180.0°
C3AC2AC1ANA5.2°0.0°
C3AC2AC1ACHA175.2°179.6°
C1AC2AC3AC4A5.3°0.1°
C2AC1ANAC4A3.1°0.0°
C2AC1ANACHA179.5°179.7°
C2AC1ANACO176.8°179.3°
C2AC1ACHAC4D177.8°178.2°
C2AC1ACHAHHA2.2°3.5°
C3AC4ANACHB178.8°179.9°
C3AC4ANAC1A0.4°0.1°
C3AC4ANACO179.8°179.3°
C3AC4ACHBC1B176.0°179.8°
C3AC4ACHBHHB4.0°0.4°
C4ANAC1ACO179.8°179.2°
C4ANAC1ACHA177.4°179.7°
NAC4ACHBC1B2.6°0.3°
NAC4ACHBHHB177.4°179.5°
C4ANACONB3.2°0.6°
C4ANACONC69.3°11.1°
C4ANACOND179.0°179.2°
CHBC4ANAC1A178.5°180.0°
CHBC4ANACO1.4°0.8°
C4ACHBC1BHHB180.0°179.8°
C4ACHBC1BC2B177.1°179.8°
C4ACHBC1BNB3.4°0.2°
C1ANACONB176.6°179.7°
C1ANACONC110.9°168.0°
NAC1ACHAC4D1.6°2.2°
C1ANACOND1.2°0.2°
NAC1ACHAHHA178.4°176.1°
CONAC1ACHA2.8°1.1°
NACONBC1B2.5°0.2°
NACONBC4B177.6°179.7°
NACONBNC179.0°179.9°
NACONBND103.7°176.3°
NACONCC1C70.4°12.2°
NACONCC4C111.4°168.1°
NACONCND109.7°168.2°
NACONDC1D176.8°179.3°
NACONDC4D1.4°0.2°
C1ACHAC4DC3D179.1°178.1°
C1ACHAC4DND1.5°2.2°
C1ACHAC4DHHA180.0°178.3°
CHBC1BC2BNB179.5°179.9°
CHBC1BC2BC3B177.9°179.9°
CHBC1BC2BH2B2.2°0.1°
CHBC1BNBC4B175.8°180.0°
CHBC1BNBCO0.1°0.1°
HHBCHBC1BC2B2.9°0.0°
HHBCHBC1BNB176.5°179.9°
C1BC2BC3BH2B180.0°179.8°
C1BC2BC3BC4B1.0°0.1°
C2BC1BNBC4B3.7°0.1°
C2BC1BNBCO179.6°179.8°
NBC1BC2BC3B1.6°0.1°
NBC1BC2BH2B178.3°180.0°
C1BNBC4BC3B4.4°0.0°
C1BNBC4BCO175.8°179.9°
C1BNBC4BCHC174.9°180.0°
C1BNBCONC176.5°179.7°
C1BNBCOND106.3°176.1°
C2BC3BC4BNB3.3°0.1°
C2BC3BC4BCHC176.0°179.9°
H2BC2BC3BC4B179.0°180.0°
C3BC4BNBCHC179.3°179.9°
C3BC4BNBCO179.8°179.9°
C3BC4BCHCC1C177.5°179.6°
C3BC4BCHCHHC2.5°0.4°
NBC4BCHCC1C3.3°0.5°
NBC4BCHCHHC176.7°179.5°
C4BNBCONC1.4°0.4°
C4BNBCOND78.6°4.0°
CHCC4BNBCO0.9°0.0°
C4BCHCC1CHHC180.0°180.0°
C4BCHCC1CC2C177.0°179.7°
C4BCHCC1CNC2.5°0.4°
NBCONCC1C2.1°0.5°
NBCONCC4C176.1°179.8°
NBCONCND177.8°179.9°
NBCONDC1D73.1°3.0°
NBCONDC4D105.2°176.1°
CHCC1CC2CNC179.6°179.9°
CHCC1CC2CC3C178.3°179.9°
CHCC1CC2CH2C1.7°0.1°
CHCC1CNCC4C177.8°180.0°
CHCC1CNCCO0.7°0.3°
HHCCHCC1CC2C3.0°0.3°
HHCCHCC1CNC177.5°179.6°
C1CC2CC3CH2C180.0°179.8°
C1CC2CC3CC4C0.4°0.2°
C2CC1CNCC4C1.9°0.1°
C2CC1CNCCO179.7°179.7°
NCC1CC2CC3C1.4°0.2°
NCC1CC2CH2C178.7°179.9°
C1CNCC4CC3C1.6°0.0°
C1CNCC4CCO178.4°179.8°
C1CNCC4CCHD177.7°180.0°
C1CNCCOND179.9°179.6°
C2CC3CC4CNC0.8°0.1°
C2CC3CC4CCHD178.6°179.9°
H2CC2CC3CC4C179.7°180.0°
C3CC4CNCCHD179.4°179.9°
C3CC4CNCCO180.0°179.8°
C3CC4CCHDC1D179.0°179.8°
C3CC4CCHDHHD1.0°0.0°
NCC4CCHDC1D1.7°0.3°
NCC4CCHDHHD178.3°179.9°
C4CNCCOND1.7°0.1°
CHDC4CNCCO0.7°0.3°
C4CCHDC1DHHD180.0°179.7°
C4CCHDC1DC2D179.5°179.6°
C4CCHDC1DND1.2°0.2°
NCCONDC1D4.2°0.6°
NCCONDC4D177.6°179.7°
CHDC1DC2DND179.5°179.8°
CHDC1DC2DC3D171.5°180.0°
CHDC1DNDC4D176.9°180.0°
CHDC1DNDCO4.6°0.7°
HHDCHDC1DC2D0.6°0.7°
HHDCHDC1DND178.8°179.6°
C1DC2DC3DC4D10.0°0.2°
C2DC1DNDC4D2.6°0.2°
C2DC1DNDCO175.9°179.1°
NDC1DC2DC3D7.9°0.2°
C1DNDC4DC3D3.8°0.0°
C1DNDC4DCO178.5°179.3°
C1DNDC4DCHA175.6°179.7°
C2DC3DC4DND8.7°0.1°
C2DC3DC4DCHA170.7°179.8°
C3DC4DNDCHA179.4°179.7°
C3DC4DNDCO177.7°179.2°
C3DC4DCHAHHA0.8°3.6°
NDC4DCHAHHA178.5°176.1°
CHAC4DNDCO2.9°1.1°

259987

PDB entries from 2026-09-23

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