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Summary Geometry Related PDB entries

RSO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.41Å	Aromatic
C1	C6	sing	1.38Å	1.40Å	Aromatic
C1	HC1	sing	1.08Å	1.10Å
C2	C3	sing	1.38Å	1.43Å	Aromatic
C2	HC2	sing	1.08Å	1.10Å
C3	C4	doub	1.38Å	1.41Å	Aromatic
C3	HC3	sing	1.08Å	1.10Å
C4	C5	sing	1.38Å	1.42Å	Aromatic
C4	C12	sing	1.51Å	1.53Å
C5	C6	doub	1.38Å	1.42Å	Aromatic
C5	HC5	sing	1.08Å	1.10Å
C6	HC6	sing	1.08Å	1.10Å
C12	C13	sing	1.53Å	1.50Å
C12	O14	sing	1.43Å	1.45Å
C12	H12	sing	1.09Å	1.12Å
C13	O14	sing	1.43Å	1.43Å
C13	H131	sing	1.09Å	1.11Å
C13	H132	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	119.3°	120.0°
C2	C1	HC1	120.5°	120.0°
C1	C2	C3	120.8°	120.0°
C1	C2	HC2	118.9°	120.0°
C6	C1	HC1	120.2°	120.0°
C1	C6	C5	119.9°	120.0°
C1	C6	HC6	119.6°	120.0°
C3	C2	HC2	120.2°	120.0°
C2	C3	C4	120.4°	119.9°
C2	C3	HC3	120.3°	120.0°
C4	C3	HC3	119.3°	120.0°
C3	C4	C5	117.9°	120.0°
C3	C4	C12	121.1°	120.0°
C5	C4	C12	121.0°	120.0°
C4	C5	C6	121.7°	120.0°
C4	C5	HC5	119.3°	120.0°
C4	C12	C13	126.2°	117.8°
C4	C12	O14	103.4°	117.8°
C4	C12	H12	96.5°	115.7°
C6	C5	HC5	119.0°	120.0°
C5	C6	HC6	120.5°	120.0°
C13	C12	O14	58.2°	57.7°
C13	C12	H12	127.1°	117.8°
C12	C13	O14	59.1°	57.6°
C12	C13	H131	135.5°	117.8°
C12	C13	H132	135.5°	117.8°
O14	C12	H12	146.6°	117.8°
C12	O14	C13	62.7°	64.7°
O14	C13	H131	135.5°	117.8°
O14	C13	H132	135.5°	117.8°
H131	C13	H132	69.8°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	HC1	180.0°	179.9°
C1	C2	C3	HC2	180.0°	180.0°
C1	C2	C3	C4	0.0°	0.1°
C1	C2	C3	HC3	179.9°	180.0°
C2	C1	C6	C5	0.1°	0.3°
C2	C1	C6	HC6	179.9°	180.0°
C6	C1	C2	C3	0.0°	0.0°
C6	C1	C2	HC2	180.0°	180.0°
C1	C6	C5	C4	0.1°	0.5°
C1	C6	C5	HC6	180.0°	179.7°
C1	C6	C5	HC5	179.9°	180.0°
HC1	C1	C2	C3	180.0°	179.9°
HC1	C1	C2	HC2	0.0°	0.1°
HC1	C1	C6	C5	179.9°	179.8°
HC1	C1	C6	HC6	0.1°	0.1°
C2	C3	C4	HC3	180.0°	179.9°
C2	C3	C4	C5	0.1°	0.3°
C2	C3	C4	C12	180.0°	180.0°
HC2	C2	C3	C4	180.0°	179.9°
HC2	C2	C3	HC3	0.0°	0.0°
C3	C4	C5	C12	180.0°	179.7°
C3	C4	C5	C6	0.1°	0.5°
C3	C4	C5	HC5	179.9°	180.0°
C3	C4	C12	C13	174.5°	97.6°
C3	C4	C12	O14	114.2°	163.6°
C3	C4	C12	H12	38.7°	49.5°
HC3	C3	C4	C5	179.9°	179.8°
HC3	C3	C4	C12	0.1°	0.1°
C4	C5	C6	HC5	180.0°	179.5°
C4	C5	C6	HC6	179.9°	179.8°
C5	C4	C12	C13	5.6°	82.1°
C5	C4	C12	O14	65.8°	16.1°
C5	C4	C12	H12	141.2°	130.8°
C12	C4	C5	C6	179.9°	179.8°
C12	C4	C5	HC5	0.1°	0.3°
C4	C12	C13	O14	83.3°	106.8°
C4	C12	C13	H12	137.0°	146.4°
C4	C12	O14	H12	125.0°	146.2°
C4	C12	C13	H131	151.4°	146.3°
C4	C12	C13	H132	42.0°	0.1°
HC5	C5	C6	HC6	0.1°	0.3°
C13	C12	O14	H12	110.4°	106.9°
C12	C13	O14	H131	125.2°	106.9°
C12	C13	O14	H132	125.3°	106.9°
C12	C13	H131	H132	135.3°	147.0°
H12	C12	C13	H131	14.4°	0.0°
H12	C12	C13	H132	95.0°	146.3°
O14	C13	H131	H132	135.3°	147.0°

223532

PDB entries from 2024-08-07

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