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Summary Geometry Related PDB entries

8NE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F11	C10	sing	1.40Å	1.33Å
F12	C10	sing	1.40Å	1.32Å
C10	C3	sing	1.51Å	1.49Å
C10	F13	sing	1.40Å	1.34Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.39Å	1.39Å	Aromatic
C1	C6	sing	1.40Å	1.39Å	Aromatic
C6	C7	sing	1.48Å	1.47Å
C7	N8	doub	1.33Å	1.31Å
C7	N9	sing	1.33Å	1.31Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
N8	HN8	sing	0.97Å	1.00Å
N9	HN9	sing	0.97Å	1.00Å
N9	HN9A	sing	0.97Å	1.00Å
N8	H3	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F11	C10	F12	106.1°	109.5°
F11	C10	C3	112.7°	109.4°
F11	C10	F13	106.8°	109.5°
F12	C10	C3	112.2°	109.4°
F12	C10	F13	106.1°	109.5°
C3	C10	F13	112.3°	109.5°
C10	C3	C4	120.8°	119.9°
C10	C3	C2	120.4°	119.9°
C4	C3	C2	118.5°	120.3°
C3	C4	C5	120.8°	120.1°
C3	C4	H4	119.6°	119.9°
C3	C2	C1	120.8°	120.1°
C3	C2	H2	119.6°	119.9°
C4	C5	C6	120.5°	119.8°
C5	C4	H4	119.6°	119.9°
C4	C5	H5	119.7°	120.1°
C2	C1	C6	120.6°	119.8°
C2	C1	H1	119.7°	120.0°
C1	C2	H2	119.6°	119.9°
C5	C6	C1	118.6°	119.8°
C5	C6	C7	120.6°	120.1°
C6	C5	H5	119.8°	120.1°
C1	C6	C7	120.4°	120.1°
C6	C1	H1	119.7°	120.1°
C6	C7	N8	120.3°	120.0°
C6	C7	N9	119.7°	120.0°
N8	C7	N9	120.0°	120.0°
C7	N8	HN8	120.0°	119.9°
C7	N8	H3	120.0°	120.1°
C7	N9	HN9	120.0°	120.0°
C7	N9	HN9A	120.0°	120.0°
HN8	N8	H3	120.0°	120.0°
HN9	N9	HN9A	120.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F11	C10	F12	C3	123.6°	119.9°
F11	C10	F12	F13	113.4°	120.1°
F11	C10	C3	F13	120.8°	120.0°
F11	C10	C3	C4	38.6°	150.0°
F11	C10	C3	C2	146.9°	30.0°
F12	C10	C3	F13	119.5°	120.0°
F12	C10	C3	C4	158.3°	30.0°
F12	C10	C3	C2	27.1°	150.0°
C10	C3	C4	C2	174.6°	179.9°
C10	C3	C4	C5	171.9°	179.9°
C10	C3	C2	C1	171.7°	180.0°
C10	C3	C2	H2	8.3°	0.0°
C10	C3	C4	H4	8.1°	0.0°
F13	C10	C3	C4	82.2°	90.0°
F13	C10	C3	C2	92.3°	90.0°
C3	C4	C5	H4	180.0°	179.9°
C4	C3	C2	C1	2.9°	0.0°
C3	C4	C5	C6	0.4°	0.0°
C4	C3	C2	H2	177.1°	180.0°
C3	C4	C5	H5	179.6°	180.0°
C2	C3	C4	C5	2.7°	0.0°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	C6	0.1°	0.0°
C3	C2	C1	H1	179.9°	179.7°
C2	C3	C4	H4	177.3°	179.9°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C1	3.3°	0.0°
C4	C5	C6	C7	169.5°	179.7°
C2	C1	C6	C5	3.1°	0.0°
C2	C1	C6	H1	180.0°	179.8°
C2	C1	C6	C7	169.7°	179.7°
C5	C6	C1	C7	172.8°	179.7°
C5	C6	C7	N8	4.0°	30.3°
C5	C6	C7	N9	173.5°	149.7°
C5	C6	C1	H1	177.0°	179.7°
C6	C5	C4	H4	179.6°	179.9°
C1	C6	C7	N8	176.7°	150.0°
C1	C6	C7	N9	0.9°	30.0°
C6	C1	C2	H2	180.0°	180.0°
C1	C6	C5	H5	176.7°	180.0°
C6	C7	N8	N9	177.6°	180.0°
C7	C6	C1	H1	10.3°	0.0°
C7	C6	C5	H5	10.5°	0.2°
C6	C7	N8	HN8	177.6°	0.0°
C6	C7	N9	HN9	177.6°	0.0°
C6	C7	N9	HN9A	2.4°	180.0°
C6	C7	N8	H3	2.4°	180.0°
C7	N8	HN8	H3	180.0°	179.9°
N8	C7	N9	HN9	0.0°	180.0°
N8	C7	N9	HN9A	180.0°	0.0°
N9	C7	N8	HN8	0.0°	180.0°
C7	N9	HN9	HN9A	180.0°	180.0°
N9	C7	N8	H3	180.0°	0.0°
H1	C1	C2	H2	0.1°	0.3°
H4	C4	C5	H5	0.4°	0.1°

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