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SummaryGeometryPCM/PTMRelated PDB entries

N2S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CLPTsing2.32Å2.00Å
PTN24sing2.01Å1.90Å
PTN28sing2.02Å1.90Å
C01O02sing1.43Å1.40Å
O02C03sing1.38Å1.40Å
C03C04doub1.40Å1.38ÅAromatic
C03C39sing1.39Å1.39ÅAromatic
C04C05sing1.39Å1.38ÅAromatic
C05C35doub1.39Å1.38ÅAromatic
C06C07sing1.53Å1.59Å
C06C34sing1.55Å1.50Å
C07C08sing1.41Å1.50ÅAromatic
C07C15doub1.40Å1.39ÅAromatic
C08C09doub1.36Å1.50ÅAromatic
C09O10sing1.38Å1.40Å
C09C13sing1.38Å1.40ÅAromatic
O10C11sing1.43Å1.40Å
C11O12sing1.43Å1.40Å
O12C13sing1.38Å1.39Å
C13C14doub1.36Å1.49ÅAromatic
C14C15sing1.40Å1.50ÅAromatic
C15C16sing1.52Å1.50Å
C16N17sing1.47Å1.37Å
C16C29sing1.55Å1.52Å
N17C18sing1.36Å1.45Å
C18O19doub1.23Å1.18Å
C18C20sing1.52Å1.53Å
C20C21sing1.55Å1.53Å
C21C22sing1.55Å1.53Å
C22C23sing1.54Å1.60Å
C22N28sing1.48Å1.60Å
C23N24sing1.46Å1.50Å
C29C30sing1.53Å1.50Å
C29C34sing1.53Å1.52Å
C30O31sing1.46Å1.50Å
O31C32sing1.36Å1.49Å
C32O33doub1.20Å1.20Å
C32C34sing1.51Å1.50Å
C35C36sing1.40Å1.39ÅAromatic
C36O37sing1.38Å1.41Å
C36C39doub1.39Å1.39ÅAromatic
O37C38sing1.43Å1.40Å
C39O40sing1.37Å1.40Å
C06C05sing1.54Å1.70Å
C01H1sing0.97Å1.10Å
C01H2sing0.97Å1.10Å
C01H3sing0.97Å1.10Å
C04H4sing0.94Å1.08Å
C08H5sing0.96Å1.08Å
C11H6sing0.98Å1.10Å
C11H7sing0.98Å1.10Å
C14H8sing0.94Å1.08Å
N17H9sing0.88Å1.00Å
C20H10sing0.98Å1.10Å
C20H11sing0.98Å1.10Å
C21H12sing0.98Å1.10Å
C21H13sing0.98Å1.10Å
C22H14sing0.99Å1.10Å
C23H15sing0.97Å1.10Å
C23H16sing0.97Å1.10Å
C30H19sing0.99Å1.10Å
C30H20sing0.99Å1.10Å
C35H21sing0.94Å1.08Å
C38H22sing0.97Å1.10Å
C38H23sing0.97Å1.10Å
C38H24sing0.97Å1.10Å
O40H25sing0.86Å0.95Å
C06H26sing1.00Å1.10Å
C16H27sing0.99Å1.10Å
C29H17sing1.00Å1.10Å
C34H18sing1.00Å1.10Å
N24H29sing0.88Å1.00Å
N28H28sing0.89Å1.00Å
HN1N24sing0.88Å1.00Å
HN2N28sing0.89Å1.00Å
CL1PTsing2.30Å122.47Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
CLPTN2490.2°93.9°
CLPTN28175.3°172.5°
CLPTCL1119.5°92.0°
N24PTN2892.1°78.7°
PTN24C23105.4°104.7°
PTN24H29110.5°107.7°
PTN24HN1110.5°111.9°
N24PTCL129.8°174.0°
PTN28C2294.2°106.6°
PTN28H28113.1°114.4°
PTN28HN2113.2°106.3°
N28PTCL162.4°95.4°
C01O02C03114.9°122.2°
O02C01H1109.5°109.5°
O02C01H2109.5°109.4°
O02C01H3109.4°109.6°
O02C03C04119.7°127.7°
O02C03C39120.4°112.5°
C04C03C39120.0°119.8°
C03C04C05119.8°120.6°
C03C04H4120.1°120.1°
C03C39C36120.3°120.2°
C03C39O40119.7°118.4°
C04C05C35120.5°119.2°
C04C05C06119.4°122.1°
C05C04H4120.1°119.3°
C05C35C36119.9°120.6°
C35C05C06120.1°118.7°
C05C35H21120.1°119.2°
C07C06C34116.2°112.9°
C06C07C08119.3°117.7°
C06C07C15120.5°122.1°
C07C06C05108.4°111.7°
C07C06H26111.3°105.8°
C06C34C29122.0°118.8°
C06C34C32121.2°117.4°
C34C06C0597.3°113.0°
C34C06H26112.7°106.4°
C06C34H18100.0°106.2°
C08C07C15120.2°120.2°
C07C08C09119.7°117.8°
C07C08H5120.1°121.0°
C07C15C14120.1°120.3°
C07C15C16123.4°120.7°
C08C09O10132.3°128.3°
C08C09C13120.0°121.7°
C09C08H5120.1°121.2°
O10C09C13107.7°110.0°
C09O10C11105.7°105.6°
C09C13O12107.7°110.0°
C09C13C14120.2°121.9°
O10C11O12106.3°108.7°
O10C11H6110.3°109.8°
O10C11H7110.2°110.0°
C11O12C13105.8°105.6°
O12C11H6110.2°109.9°
O12C11H7110.3°109.9°
O12C13C14132.2°128.1°
C13C14C15119.8°118.1°
C13C14H8120.1°120.7°
C14C15C16116.5°119.1°
C15C14H8120.1°121.2°
C15C16N17103.0°118.4°
C15C16C29119.2°108.9°
C15C16H27105.4°107.0°
N17C16C29116.3°107.6°
C16N17C18125.3°125.1°
C16N17H9117.3°116.0°
N17C16H27106.8°106.8°
C16C29C30125.9°120.6°
C16C29C34117.9°113.2°
C29C16H27105.1°107.7°
C16C29H17101.4°106.8°
N17C18O19120.9°123.8°
N17C18C20117.6°116.4°
C18N17H9117.4°119.0°
O19C18C20121.4°119.9°
C18C20C21116.8°114.2°
C18C20H10107.6°108.2°
C18C20H11107.6°109.3°
C20C21C22109.2°116.0°
C21C20H10107.6°108.4°
C21C20H11107.6°109.7°
C20C21H12109.6°108.8°
C20C21H13109.5°107.7°
C21C22C23112.7°111.6°
C21C22N28114.5°114.3°
C22C21H12109.5°108.1°
C22C21H13109.5°108.7°
C21C22H14108.5°108.1°
C23C22N28105.2°108.2°
C22C23N24109.6°112.0°
C23C22H14107.8°107.8°
C22C23H15109.4°110.1°
C22C23H16109.5°108.7°
N28C22H14107.8°106.4°
C22N28H28113.2°113.6°
C22N28HN2113.1°109.4°
N24C23H15109.5°108.9°
N24C23H16109.5°109.0°
C23N24H29110.5°111.7°
C23N24HN1110.5°111.8°
C30C29C34104.5°101.7°
C29C30O31105.3°104.0°
C29C30H19110.5°111.5°
C29C30H20110.5°111.1°
C30C29H17101.5°106.8°
C29C34C32108.1°102.3°
C34C29H17101.4°106.9°
C29C34H1899.8°106.4°
C30O31C32105.2°110.6°
O31C30H19110.5°110.7°
O31C30H20110.5°110.4°
O31C32O33127.5°121.1°
O31C32C34105.4°109.4°
O33C32C34127.1°129.5°
C32C34H1899.9°104.5°
C35C36O37120.4°127.8°
C35C36C39119.5°119.6°
C36C35H21120.0°120.2°
O37C36C39120.0°112.5°
C36O37C38115.2°122.1°
C36C39O40120.0°121.4°
O37C38H22109.5°109.6°
O37C38H23109.5°109.3°
O37C38H24109.5°109.6°
C39O40H25109.5°112.5°
C05C06H26109.9°106.5°
H1C01H2109.5°109.4°
H1C01H3109.5°109.6°
H2C01H3109.5°109.3°
H6C11H7109.5°108.5°
H10C20H11109.5°106.9°
H12C21H13109.5°107.2°
H15C23H16109.4°107.9°
H19C30H20109.5°109.1°
H22C38H23109.5°109.4°
H22C38H24109.5°109.5°
H23C38H24109.5°109.4°
H29N24HN1109.5°109.0°
H28N28HN2109.4°106.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
CLPTN24N28175.9°179.3°
CLPTN24CL1170.8°168.3°
CLPTN28CL1115.5°173.7°
CLPTN28C2270.1°51.5°
CLPTN24C23147.7°134.5°
CLPTN24H2992.9°106.5°
CLPTN28H2847.3°178.0°
CLPTN24HN128.4°13.2°
CLPTN28HN2172.4°65.1°
N24PTN28CL12.8°178.8°
PTN24C23C223.0°37.8°
N24PTN28C2248.2°46.3°
PTN24C23H29119.4°116.2°
PTN24C23HN1119.3°121.3°
PTN24C23H15123.0°84.2°
PTN24C23H16117.1°158.3°
PTN24H29HN1121.9°121.6°
N24PTN28H28165.6°172.8°
N24PTN28HN269.2°70.3°
PTN28C22C21179.1°89.8°
PTN28C22C2356.6°35.3°
PTN28C22H28117.4°127.0°
PTN28C22HN2117.4°114.5°
N28PTN24C2328.2°46.2°
PTN28C22H1458.2°150.9°
N28PTN24H2991.2°72.8°
PTN28H28HN2127.2°117.0°
N28PTN24HN1147.5°167.5°
C01O02C03C0416.2°1.1°
C01O02C03C39164.0°178.7°
O02C01H1H2120.0°119.9°
O02C01H1H3120.0°120.2°
O02C01H2H3119.9°119.9°
O02C03C04C39179.7°179.8°
O02C03C04C05179.1°179.5°
O02C03C39C36179.9°179.9°
O02C03C39O400.1°0.2°
C03O02C01H1180.0°59.6°
C03O02C01H260.0°179.6°
C03O02C01H360.0°60.6°
O02C03C04H40.9°0.2°
C03C04C05H4180.0°179.7°
C03C04C05C351.5°0.8°
C04C03C39C360.2°0.0°
C04C03C39O40179.9°180.0°
C03C04C05C06178.6°179.6°
C39C03C04C050.6°0.3°
C03C39C36C350.0°0.2°
C03C39C36O37179.9°179.8°
C03C39C36O40179.9°180.0°
C39C03C04H4179.4°180.0°
C03C39O40H25180.0°180.0°
C04C05C35C06177.1°178.9°
C04C05C06C07151.5°44.7°
C04C05C06C3487.7°83.8°
C04C05C35C361.7°0.9°
C04C05C35H21178.4°179.8°
C04C05C06H2629.7°159.7°
C35C05C06C0731.4°136.4°
C35C05C06C3489.4°95.1°
C05C35C36H21180.0°179.3°
C05C35C36O37179.0°179.8°
C05C35C36C390.9°0.6°
C35C05C04H4178.5°179.5°
C35C05C06H26153.2°21.4°
C07C06C34C05114.7°127.9°
C07C06C34H26130.1°115.6°
C06C07C08C15179.3°178.9°
C06C07C08C09179.9°179.4°
C06C07C15C14179.9°179.0°
C06C07C15C161.0°0.6°
C07C06C34C2911.4°6.8°
C07C06C34C32155.0°117.2°
C07C06C05H26121.8°115.0°
C06C07C08H50.1°0.9°
C07C06C34H1896.9°126.5°
C34C06C07C08172.2°156.6°
C34C06C07C157.1°24.5°
C06C34C29C167.7°31.9°
C06C34C29C30137.6°98.9°
C06C34C29C32147.7°131.1°
C06C34C29H18108.4°119.5°
C06C34C32O31159.1°110.9°
C06C34C32O3321.5°69.1°
C06C34C32H18108.1°117.3°
C34C06C05H26117.4°116.4°
C06C34C29H17117.2°149.2°
C07C08C09H5180.0°179.6°
C07C08C09O10179.6°179.6°
C07C08C09C130.5°0.3°
C08C07C15C140.7°0.1°
C08C07C15C16179.8°179.5°
C08C07C06C0563.9°74.8°
C08C07C06H2657.0°40.7°
C15C07C08C090.6°0.5°
C07C15C14C130.6°0.4°
C07C15C14C16179.2°179.6°
C07C15C16N17125.6°162.0°
C07C15C16C294.9°38.8°
C15C07C06C05115.3°104.1°
C15C07C08H5179.4°179.9°
C07C15C14H8179.4°179.6°
C15C07C06H26123.7°140.4°
C07C15C16H27122.5°77.4°
C08C09O10C13179.2°179.9°
C08C09O10C11163.8°179.9°
C08C09C13O12179.8°180.0°
C08C09C13C140.4°0.2°
C09O10C11O1225.4°0.0°
O10C09C13O120.5°0.0°
O10C09C13C14179.7°179.8°
O10C09C08H50.4°0.0°
C09O10C11H694.1°120.3°
C09O10C11H7144.9°120.5°
C13C09O10C1115.4°0.0°
C09C13O12C1116.1°0.1°
C09C13O12C14179.8°179.8°
C09C13C14C150.5°0.6°
C13C09C08H5179.5°180.0°
C09C13C14H8179.6°179.8°
O10C11O12H6119.5°120.3°
O10C11O12H7119.5°120.4°
O10C11O12C1325.7°0.1°
O10C11H6H7121.4°120.2°
C11O12C13C14164.1°179.9°
O12C11H6H7121.5°120.2°
O12C13C14C15179.8°179.7°
C13O12C11H693.8°120.2°
C13O12C11H7145.2°120.5°
O12C13C14H80.2°0.4°
C13C14C15H8180.0°179.3°
C13C14C15C16179.8°180.0°
C14C15C16N1753.5°18.4°
C14C15C16C29175.9°141.6°
C14C15C16H2758.3°102.3°
C15C16N17C29132.3°123.8°
C15C16N17H27110.7°120.7°
C15C16C29H27117.7°115.7°
C15C16N17C18155.4°140.1°
C15C16C29C30137.8°67.2°
C15C16C29C340.6°53.3°
C16C15C14H80.2°0.7°
C15C16N17H924.6°41.0°
C15C16C29H17108.9°170.8°
N17C16C29H27117.9°114.8°
C16N17C18H9180.0°178.8°
C16N17C18O192.6°0.5°
C16N17C18C20177.2°179.8°
N17C16C29C3013.5°62.2°
N17C16C29C34123.7°177.2°
N17C16C29H17126.8°59.8°
C29C16N17C1872.3°96.0°
C16C29C30C34141.7°126.1°
C16C29C30H17113.3°122.0°
C16C29C34H17109.5°117.3°
C16C29C30O31169.0°158.9°
C16C29C34C32155.5°163.0°
C29C16N17H9107.7°82.8°
C16C29C30H1971.6°39.5°
C16C29C30H2049.7°82.3°
C16C29C34H18100.6°87.7°
N17C18O19C20179.8°179.2°
N17C18C20C21103.3°107.6°
N17C18C20H10135.6°131.7°
N17C18C20H1117.7°15.6°
C18N17C16H2744.7°19.4°
O19C18C20C2176.9°73.1°
O19C18N17H9177.4°178.3°
O19C18C20H1044.2°47.6°
O19C18C20H11162.0°163.7°
C18C20C21H10121.1°120.6°
C18C20C21H11121.1°123.0°
C18C20C21C22122.2°106.9°
C20C18N17H92.8°1.0°
C18C20H10H11116.6°117.6°
C18C20C21H12117.8°15.2°
C18C20C21H132.3°131.0°
C20C21C22H12120.0°122.4°
C20C21C22H13120.0°121.5°
C20C21C22C2332.2°161.6°
C20C21C22N28152.4°75.1°
C21C20H10H11116.7°118.1°
C20C21H12H13120.1°116.2°
C20C21C22H1487.1°43.3°
C21C22C23N28125.5°126.7°
C21C22C23H14119.7°118.6°
C21C22N28H14120.9°119.3°
C21C22C23N24166.6°128.6°
C22C21C20H101.2°132.5°
C22C21C20H11116.7°16.1°
C22C21H12H13120.1°117.1°
C21C22C23H1573.3°7.2°
C21C22C23H1646.6°110.8°
C21C22N28H2861.7°37.1°
C21C22N28HN263.4°155.6°
C23C22N28H14114.8°115.6°
C22C23N24H15120.0°122.1°
C22C23N24H16120.0°120.4°
C23C22C21H1287.8°75.9°
C23C22C21H13152.1°40.1°
C22C23H15H16119.9°118.5°
C22C23N24H29122.3°78.4°
C23C22N28H28174.0°162.2°
C22C23N24HN1116.4°159.2°
C23C22N28HN260.9°79.3°
N28C22C23N2441.2°1.9°
N28C22C21H1232.4°47.4°
N28C22C21H1387.7°163.4°
N28C22C23H15161.2°119.5°
N28C22C23H1678.9°122.5°
C22N28H28HN2127.2°120.3°
C22N28PTCL145.4°134.8°
N24C23C22H1473.6°112.8°
N24C23H15H16120.0°118.2°
C23N24H29HN1121.9°124.1°
C23N24PTCL123.1°57.2°
C30C29C34H17105.1°111.8°
C29C30O31H19119.3°119.9°
C29C30O31H20119.3°119.2°
C29C30O31C3234.9°21.3°
C30C29C34C3210.1°32.2°
C29C30H19H20121.9°123.0°
C30C29C16H27104.5°177.0°
C30C29C34H18114.0°141.5°
C34C29C30O3127.4°32.8°
C29C34C32O3111.0°21.0°
C29C34C32O33169.5°159.0°
C29C34C32H18103.9°110.8°
C29C34C06C05126.1°121.1°
C34C29C30H19146.7°86.6°
C34C29C30H2092.0°151.5°
C29C34C06H26118.8°122.4°
C34C29C16H27118.4°62.4°
C30O31C32O33152.5°180.0°
C30O31C32C3428.1°0.0°
O31C30H19H20121.9°121.7°
O31C30C29H1777.7°79.1°
O31C32O33C34179.3°180.0°
C32O31C30H19154.2°98.7°
C32O31C30H2084.5°140.5°
O31C32C34H1892.8°131.8°
O33C32C34H1886.6°48.2°
C32C34C06C0590.4°114.9°
C32C34C06H2624.8°1.6°
C32C34C29H1795.0°79.7°
C35C36O37C39179.9°179.6°
C35C36O37C3814.2°1.8°
C35C36C39O40180.0°179.8°
C36C35C05C06178.7°179.8°
O37C36C39O400.1°0.2°
O37C36C35H211.0°0.5°
C36O37C38H22180.0°59.3°
C36O37C38H2360.0°179.2°
C36O37C38H2460.0°60.9°
C39C36O37C38165.9°177.8°
C39C36C35H21179.1°179.9°
C36C39O40H250.1°0.0°
O37C38H22H23120.0°119.9°
O37C38H22H24120.0°120.2°
O37C38H23H24120.0°120.1°
C06C05C04H41.4°0.7°
C06C05C35H211.3°0.9°
C05C06C34H1817.7°1.4°
H1C01H2H3120.0°120.1°
H9N17C16H27135.3°161.8°
H10C20C21H12121.1°105.5°
H10C20C21H13118.8°10.4°
H11C20C21H123.3°138.2°
H11C20C21H13123.3°105.9°
H12C21C22H14152.9°165.7°
H13C21C22H1432.8°78.2°
H14C22C23H1546.4°125.8°
H14C22C23H16166.3°7.8°
H14C22N28H2859.2°82.2°
H14C22N28HN2175.6°36.3°
H15C23N24H29117.7°159.6°
H15C23N24HN13.6°37.1°
H16C23N24H292.3°42.1°
H16C23N24HN1123.6°80.4°
H19C30C29H1741.6°161.5°
H20C30C29H17163.0°39.6°
H22C38H23H24120.0°119.9°
H26C06C34H18132.9°117.9°
H27C16C29H178.9°55.0°
H17C29C34H188.9°29.7°
H29N24PTCL196.3°61.8°
H28N28PTCL1162.8°8.4°
HN1N24PTCL1142.5°178.5°
HN2N28PTCL172.0°108.5°

259351

PDB entries from 2026-09-09

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