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SummaryGeometryPCM/PTMRelated PDB entries

I83

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C22N21sing1.48Å1.24Å
C19N21sing1.48Å1.27Å
N21PTsing2.04Å1.88Å
PTN18sing2.04Å1.86Å
C17N18sing1.46Å1.25Å
C17H1sing0.97Å1.10Å
C17H2sing0.97Å1.10Å
C17H3sing0.97Å1.10Å
N18H4sing0.91Å1.00Å
C22H5sing0.97Å1.10Å
C22H6sing0.97Å1.10Å
C22H7sing0.97Å1.10Å
C19H8sing0.97Å1.10Å
C19H9sing0.97Å1.10Å
C19H10sing0.97Å1.10Å
PTCL1sing2.30Å9.64Å
PTCL2sing2.30Å9.64Å
H11N18sing0.91Å1.00Å
H12N21sing0.89Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C22N21C19123.6°119.6°
C22N21PT116.4°111.2°
N21C22H5109.5°109.7°
N21C22H6109.4°109.4°
N21C22H7109.5°109.7°
C22N21H1291.3°107.7°
C19N21PT119.9°107.7°
N21C19H8109.5°109.4°
N21C19H9109.5°109.8°
N21C19H10109.5°109.6°
C19N21H1291.3°107.9°
N21PTN18177.8°95.4°
N21PTCL1149.9°89.0°
N21PTCL2149.9°174.2°
PTN21H1290.9°101.1°
PTN18C17110.0°112.6°
PTN18H4109.3°114.3°
N18PTCL131.8°175.3°
N18PTCL231.8°88.7°
PTN18H11109.3°107.2°
N18C17H1109.5°109.5°
N18C17H2109.5°109.4°
N18C17H3109.5°109.7°
C17N18H4109.3°107.8°
C17N18H11109.3°108.0°
H1C17H2109.4°109.4°
H1C17H3109.5°109.5°
H2C17H3109.5°109.3°
H4N18H11109.5°106.7°
H5C22H6109.5°109.2°
H5C22H7109.5°109.7°
H6C22H7109.5°109.2°
H8C19H9109.5°109.3°
H8C19H10109.5°109.2°
H9C19H10109.4°109.6°
CL1PTCL20.0°87.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C22N21C19PT175.8°128.2°
C22N21C19H1292.5°123.4°
C22N21PTH1292.0°114.1°
C22N21PTN1878.9°62.1°
N21C22H5H6120.0°119.9°
N21C22H5H7120.0°120.5°
N21C22H6H7120.0°120.0°
C22N21C19H8180.0°178.7°
C22N21C19H960.0°58.8°
C22N21C19H1060.0°61.6°
C22N21PTCL1140.1°116.3°
C22N21PTCL2140.1°162.6°
C19N21PTH1292.0°113.0°
C19N21PTN1897.2°70.8°
C19N21C22H5180.0°59.6°
C19N21C22H660.0°179.4°
C19N21C22H760.0°60.9°
N21C19H8H9120.0°120.2°
N21C19H8H10120.0°119.9°
N21C19H9H10120.0°120.4°
C19N21PTCL143.8°110.8°
C19N21PTCL243.8°64.5°
N21PTN18CL1143.3°160.5°
N21PTN18CL2143.3°175.9°
N21PTN18C1790.6°111.4°
N21PTN18H429.4°12.0°
PTN21C22H54.1°67.0°
PTN21C22H6124.1°52.8°
PTN21C22H7115.9°172.5°
PTN21C19H84.2°50.5°
PTN21C19H9115.8°69.4°
PTN21C19H10124.3°170.2°
N21PTCL1CL290.0°175.8°
N21PTN18H11149.3°130.0°
PTN18C17H4120.1°127.0°
PTN18C17H11120.1°118.1°
PTN18C17H1180.0°63.2°
PTN18C17H260.0°177.0°
PTN18C17H360.0°57.0°
PTN18H4H11119.8°118.2°
N18PTCL1CL290.0°23.6°
N18PTN21H12170.8°176.2°
N18C17H1H2120.0°119.9°
N18C17H1H3120.0°120.3°
N18C17H2H3120.0°120.2°
C17N18H4H11119.8°115.8°
C17N18PTCL1126.1°49.1°
C17N18PTCL2126.1°72.7°
H1C17H2H3120.0°119.9°
H1C17N18H459.9°63.8°
H1C17N18H1160.0°178.7°
H2C17N18H4179.9°56.0°
H2C17N18H1160.0°58.8°
H3C17N18H460.1°176.0°
H3C17N18H11180.0°61.1°
H4N18PTCL1113.8°172.6°
H4N18PTCL2113.8°163.9°
H5C22H6H7120.0°119.9°
H5C22N21H1287.6°176.9°
H6C22N21H1232.4°57.1°
H7C22N21H12152.4°62.6°
H8C19H9H10120.0°119.6°
H8C19N21H1287.5°57.9°
H9C19N21H12152.5°177.8°
H10C19N21H1232.5°61.8°
CL1PTN18H116.0°69.5°
CL1PTN21H1248.2°2.2°
CL2PTN18H116.0°45.9°
CL2PTN21H1248.2°48.5°

259987

PDB entries from 2026-09-23

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