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Summary Geometry Related PDB entries

EOL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.40Å	Aromatic
C1	C3	sing	1.39Å	1.39Å	Aromatic
O1	C5	sing	1.36Å	1.36Å
C2	C4	sing	1.38Å	1.39Å	Aromatic
C2	C7	sing	1.51Å	1.50Å
O2	C3	sing	1.36Å	1.38Å
O2	C10	sing	1.43Å	1.38Å
C3	C5	doub	1.39Å	1.39Å	Aromatic
C4	C6	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.39Å	1.39Å	Aromatic
C7	C8	sing	1.51Å	1.48Å
C8	C9	doub	1.31Å	1.36Å
C1	H1	sing	1.08Å	1.08Å
O1	HO1	sing	0.97Å	0.95Å
C4	H4	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C9	H9A	sing	1.08Å	1.08Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C10	H10B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C3	119.3°	120.0°
C1	C2	C4	120.3°	120.2°
C1	C2	C7	120.5°	119.9°
C2	C1	H1	120.4°	120.0°
C1	C3	O2	122.5°	120.1°
C1	C3	C5	119.9°	119.8°
C3	C1	H1	120.4°	120.0°
O1	C5	C3	119.6°	120.0°
O1	C5	C6	119.3°	120.1°
C5	O1	HO1	109.5°	114.0°
C4	C2	C7	119.3°	119.9°
C2	C4	C6	120.3°	120.1°
C2	C4	H4	119.8°	120.0°
C2	C7	C8	117.8°	109.5°
C2	C7	H7	106.8°	109.5°
C2	C7	H7A	106.8°	109.5°
C3	O2	C10	120.3°	117.0°
O2	C3	C5	117.5°	120.1°
O2	C10	H10	109.5°	109.4°
O2	C10	H10A	109.5°	109.5°
O2	C10	H10B	109.4°	109.4°
C3	C5	C6	121.0°	119.9°
C4	C6	C5	119.1°	120.0°
C6	C4	H4	119.8°	119.9°
C4	C6	H6	120.5°	119.9°
C5	C6	H6	120.5°	120.0°
C7	C8	C9	119.4°	120.0°
C8	C7	H7	106.8°	109.5°
C8	C7	H7A	106.8°	109.5°
C7	C8	H8	120.3°	120.0°
C9	C8	H8	120.3°	120.0°
C8	C9	H9	120.0°	120.0°
C8	C9	H9A	120.0°	120.0°
H7	C7	H7A	112.0°	109.4°
H9	C9	H9A	120.0°	120.1°
H10	C10	H10A	109.4°	109.5°
H10	C10	H10B	109.5°	109.5°
H10A	C10	H10B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C3	H1	180.0°	179.8°
C1	C2	C4	C7	179.8°	180.0°
C2	C1	C3	O2	178.6°	180.0°
C2	C1	C3	C5	1.1°	0.0°
C1	C2	C4	C6	2.1°	0.0°
C1	C2	C7	C8	53.4°	90.0°
C1	C2	C4	H4	177.9°	180.0°
C1	C2	C7	H7	173.4°	150.0°
C1	C2	C7	H7A	66.6°	30.0°
C1	C3	C5	O1	179.4°	179.9°
C3	C1	C2	C4	1.2°	0.0°
C3	C1	C2	C7	179.0°	180.0°
C1	C3	O2	C5	177.5°	180.0°
C1	C3	O2	C10	3.8°	0.0°
C1	C3	C5	C6	2.7°	0.1°
O1	C5	C3	O2	1.8°	0.1°
O1	C5	C3	C6	177.9°	180.0°
O1	C5	C6	C4	179.7°	179.9°
O1	C5	C6	H6	0.3°	0.0°
C2	C4	C6	H4	180.0°	180.0°
C2	C4	C6	C5	0.6°	0.1°
C4	C2	C7	C8	126.4°	90.0°
C4	C2	C1	H1	178.8°	179.8°
C2	C4	C6	H6	179.4°	180.0°
C4	C2	C7	H7	6.4°	30.0°
C4	C2	C7	H7A	113.6°	150.0°
C7	C2	C4	C6	178.1°	180.0°
C2	C7	C8	H7	120.0°	120.0°
C2	C7	C8	H7A	120.0°	120.0°
C2	C7	C8	C9	27.9°	125.0°
C7	C2	C1	H1	1.0°	0.2°
C7	C2	C4	H4	1.9°	0.0°
C2	C7	H7	H7A	116.6°	120.0°
C2	C7	C8	H8	152.1°	55.0°
O2	C3	C5	C6	179.7°	180.0°
O2	C3	C1	H1	1.4°	0.2°
C3	O2	C10	H10	180.0°	180.0°
C3	O2	C10	H10A	60.0°	60.0°
C3	O2	C10	H10B	60.0°	60.0°
C10	O2	C3	C5	178.6°	180.0°
O2	C10	H10	H10A	120.0°	120.0°
O2	C10	H10	H10B	120.0°	120.0°
O2	C10	H10A	H10B	120.0°	120.0°
C3	C5	C6	C4	1.8°	0.1°
C5	C3	C1	H1	178.9°	179.8°
C3	C5	O1	HO1	180.0°	90.1°
C3	C5	C6	H6	178.2°	180.0°
C4	C6	C5	H6	180.0°	179.9°
C6	C5	O1	HO1	2.1°	89.9°
C5	C6	C4	H4	179.4°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C8	C7	H7	H7A	116.6°	120.0°
C7	C8	C9	H9	180.0°	180.0°
C7	C8	C9	H9A	0.0°	0.0°
C9	C8	C7	H7	92.1°	5.0°
C9	C8	C7	H7A	147.9°	115.0°
C8	C9	H9	H9A	180.0°	180.0°
H4	C4	C6	H6	0.6°	0.0°
H7	C7	C8	H8	87.9°	175.0°
H7A	C7	C8	H8	32.1°	65.0°
H8	C8	C9	H9	0.0°	0.0°
H8	C8	C9	H9A	180.0°	180.0°
H10	C10	H10A	H10B	120.0°	120.0°

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