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SummaryGeometryRelated PDB entries

OBP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CX1CX2doub1.39Å1.51ÅAromatic
CX1CX6sing1.38Å1.48ÅAromatic
CX1HX1sing1.08Å1.08Å
CX2CX3sing1.39Å1.54ÅAromatic
CX2CX7sing1.48Å1.43ÅAromatic
CX3CX4doub1.38Å1.49ÅAromatic
CX3SX1sing1.76Å1.95Å
CX4CX5sing1.38Å1.51ÅAromatic
CX4HX4sing1.08Å1.08Å
CX5CX6doub1.38Å1.49ÅAromatic
CX5HX5sing1.08Å1.08Å
CX6HX6sing1.08Å1.08Å
CX7CX8doub1.39Å1.49ÅAromatic
CX7CXCsing1.40Å1.51ÅAromatic
CX8CX9sing1.38Å1.50ÅAromatic
CX8HX8sing1.08Å1.08Å
CX9CXAdoub1.38Å1.50ÅAromatic
CX9HX9sing1.08Å1.08Å
CXACXBsing1.38Å1.50ÅAromatic
CXAHX10sing1.08Å1.08Å
CXBCXCdoub1.39Å1.49ÅAromatic
CXBHX11sing1.08Å1.08Å
CXCOHsing1.36Å1.40Å
OHHOHsing0.97Å0.95Å
SX1OX1doub1.42Å1.50Å
SX1OX2sing1.52Å1.46Å
OX2HX2sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
CX2CX1CX6120.7°119.9°
CX2CX1HX1119.6°120.0°
CX1CX2CX3119.8°119.7°
CX1CX2CX7116.5°120.1°
CX6CX1HX1119.7°120.1°
CX1CX6CX5120.0°120.1°
CX1CX6HX6120.0°119.9°
CX3CX2CX7123.8°120.1°
CX2CX3CX4117.9°119.8°
CX2CX3SX1115.7°120.1°
CX2CX7CX8122.2°120.1°
CX2CX7CXC117.3°120.1°
CX4CX3SX1126.2°120.1°
CX3CX4CX5121.1°120.1°
CX3CX4HX4119.4°119.9°
CX3SX1OX197.8°103.0°
CX3SX1OX2104.2°103.0°
CX5CX4HX4119.4°120.0°
CX4CX5CX6120.5°120.3°
CX4CX5HX5119.7°119.9°
CX6CX5HX5119.7°119.9°
CX5CX6HX6120.0°119.9°
CX8CX7CXC120.4°119.7°
CX7CX8CX9119.6°119.9°
CX7CX8HX8120.2°120.0°
CX7CXCCXB119.9°119.8°
CX7CXCOH123.8°120.1°
CX9CX8HX8120.2°120.1°
CX8CX9CXA119.9°120.2°
CX8CX9HX9120.1°119.8°
CXACX9HX9120.1°119.9°
CX9CXACXB120.7°120.3°
CX9CXAHX10119.7°119.8°
CXBCXAHX10119.7°119.8°
CXACXBCXC119.6°120.0°
CXACXBHX11120.2°120.0°
CXCCXBHX11120.2°120.0°
CXBCXCOH116.3°120.1°
CXCOHHOH109.5°114.0°
OX1SX1OX2111.7°103.0°
SX1OX2HX2109.5°114.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
CX2CX1CX6HX1180.0°179.8°
CX1CX2CX3CX7179.7°180.0°
CX1CX2CX3CX40.9°0.0°
CX1CX2CX3SX1173.4°180.0°
CX2CX1CX6CX50.3°0.0°
CX2CX1CX6HX6179.7°180.0°
CX1CX2CX7CX886.8°65.0°
CX1CX2CX7CXC92.8°115.3°
CX6CX1CX2CX30.3°0.0°
CX6CX1CX2CX7180.0°180.0°
CX1CX6CX5CX40.4°0.0°
CX1CX6CX5HX6180.0°180.0°
CX1CX6CX5HX5179.6°180.0°
HX1CX1CX2CX3179.6°179.8°
HX1CX1CX2CX70.1°0.2°
HX1CX1CX6CX5179.7°179.8°
HX1CX1CX6HX60.3°0.2°
CX2CX3CX4SX1173.6°180.0°
CX2CX3CX4CX50.8°0.0°
CX2CX3CX4HX4179.2°180.0°
CX3CX2CX7CX892.8°115.0°
CX3CX2CX7CXC87.5°64.7°
CX2CX3SX1OX172.2°103.1°
CX2CX3SX1OX2173.1°150.0°
CX7CX2CX3CX4179.4°180.0°
CX7CX2CX3SX16.3°0.0°
CX2CX7CX8CXC179.7°179.7°
CX2CX7CX8CX9179.8°180.0°
CX2CX7CX8HX80.2°0.1°
CX2CX7CXCCXB179.9°179.7°
CX2CX7CXCOH0.4°0.0°
CX3CX4CX5HX4180.0°180.0°
CX3CX4CX5CX60.2°0.0°
CX3CX4CX5HX5179.9°180.0°
CX4CX3SX1OX1114.2°76.9°
CX4CX3SX1OX20.6°30.0°
SX1CX3CX4CX5172.8°180.0°
SX1CX3CX4HX47.3°0.0°
CX3SX1OX1OX2108.7°106.9°
CX3SX1OX2HX2157.0°179.9°
CX4CX5CX6HX5180.0°180.0°
CX4CX5CX6HX6179.6°180.0°
HX4CX4CX5CX6179.8°180.0°
HX4CX4CX5HX50.2°0.0°
HX5CX5CX6HX60.4°0.0°
CX7CX8CX9HX8180.0°179.9°
CX7CX8CX9CXA0.2°0.0°
CX7CX8CX9HX9179.8°180.0°
CX8CX7CXCCXB0.2°0.6°
CX8CX7CXCOH179.9°179.7°
CXCCX7CX8CX90.2°0.3°
CXCCX7CX8HX8179.8°179.7°
CX7CXCCXBCXA0.3°0.6°
CX7CXCCXBOH179.7°179.7°
CX7CXCCXBHX11179.7°179.7°
CX7CXCOHHOH82.3°90.0°
CX8CX9CXAHX9180.0°180.0°
CX8CX9CXACXB0.2°0.0°
CX8CX9CXAHX10179.7°180.0°
HX8CX8CX9CXA179.8°179.9°
HX8CX8CX9HX90.2°0.1°
CX9CXACXBHX10180.0°180.0°
CX9CXACXBCXC0.3°0.3°
CX9CXACXBHX11179.7°180.0°
HX9CX9CXACXB179.8°180.0°
HX9CX9CXAHX100.3°0.0°
CXACXBCXCHX11180.0°179.7°
CXACXBCXCOH180.0°179.7°
HX10CXACXBCXC179.7°179.7°
HX10CXACXBHX110.3°0.0°
CXBCXCOHHOH97.4°89.7°
HX11CXBCXCOH0.0°0.1°
OX1SX1OX2HX252.5°73.1°

222415

PDB entries from 2024-07-10

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