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Summary Geometry Related PDB entries

2O6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F2	C7	sing	1.40Å	1.33Å
F3	C7	sing	1.40Å	1.33Å
F1	C7	sing	1.40Å	1.33Å
C7	C1	sing	1.51Å	1.49Å
C1	C2	doub	1.39Å	1.40Å	Aromatic
C1	C6	sing	1.38Å	1.39Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C6	C5	doub	1.39Å	1.49Å	Aromatic
C3	C4	doub	1.39Å	1.49Å	Aromatic
C5	C4	sing	1.40Å	1.30Å	Aromatic
C5	C8	sing	1.47Å	1.42Å	Aromatic
C4	O1	sing	1.35Å	1.42Å	Aromatic
N2	C8	sing	1.39Å	1.43Å
C8	N1	doub	1.30Å	1.31Å	Aromatic
O1	N1	sing	1.41Å	1.38Å	Aromatic
C2	H1	sing	1.08Å	1.08Å
N2	H2	sing	0.97Å	1.00Å
N2	H3	sing	0.97Å	1.00Å
C3	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F2	C7	F3	109.2°	109.5°
F2	C7	F1	109.2°	109.5°
F2	C7	C1	109.3°	109.5°
F3	C7	F1	110.2°	109.5°
F3	C7	C1	110.3°	109.4°
F1	C7	C1	108.6°	109.5°
C7	C1	C2	120.7°	119.8°
C7	C1	C6	120.5°	119.8°
C2	C1	C6	118.8°	120.3°
C1	C2	C3	122.8°	120.6°
C1	C2	H1	118.6°	119.7°
C1	C6	C5	119.1°	119.7°
C1	C6	H5	120.4°	120.2°
C2	C3	C4	117.8°	119.9°
C3	C2	H1	118.6°	119.7°
C2	C3	H4	121.1°	120.1°
C6	C5	C4	121.1°	119.9°
C6	C5	C8	130.5°	133.6°
C5	C6	H5	120.5°	120.2°
C3	C4	C5	120.3°	119.6°
C3	C4	O1	131.8°	133.2°
C4	C3	H4	121.1°	120.0°
C4	C5	C8	108.4°	106.4°
C5	C4	O1	107.8°	107.2°
C5	C8	N2	125.7°	126.4°
C5	C8	N1	108.4°	107.2°
C4	O1	N1	106.8°	109.5°
N2	C8	N1	125.9°	126.4°
C8	N2	H2	109.5°	120.0°
C8	N2	H3	109.5°	120.0°
C8	N1	O1	108.5°	109.6°
H2	N2	H3	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F2	C7	F3	F1	119.9°	120.1°
F2	C7	F3	C1	120.1°	120.0°
F2	C7	F1	C1	119.1°	120.0°
F2	C7	C1	C2	39.3°	120.0°
F2	C7	C1	C6	140.9°	60.0°
F3	C7	F1	C1	121.0°	119.9°
F3	C7	C1	C2	159.3°	120.0°
F3	C7	C1	C6	20.9°	60.0°
F1	C7	C1	C2	79.7°	0.0°
F1	C7	C1	C6	100.0°	180.0°
C7	C1	C2	C6	179.8°	180.0°
C7	C1	C2	C3	179.9°	180.0°
C7	C1	C6	C5	179.9°	180.0°
C7	C1	C2	H1	0.1°	0.1°
C7	C1	C6	H5	0.1°	0.0°
C1	C2	C3	H1	180.0°	179.9°
C2	C1	C6	C5	0.1°	0.0°
C1	C2	C3	C4	0.0°	0.1°
C1	C2	C3	H4	180.0°	180.0°
C2	C1	C6	H5	179.9°	180.0°
C6	C1	C2	C3	0.1°	0.0°
C1	C6	C5	H5	180.0°	180.0°
C1	C6	C5	C4	0.0°	0.0°
C1	C6	C5	C8	179.9°	180.0°
C6	C1	C2	H1	179.9°	179.9°
C2	C3	C4	H4	180.0°	179.9°
C2	C3	C4	C5	0.0°	0.1°
C2	C3	C4	O1	180.0°	180.0°
C6	C5	C4	C3	0.0°	0.0°
C6	C5	C4	C8	179.9°	180.0°
C6	C5	C4	O1	180.0°	180.0°
C6	C5	C8	N2	0.1°	0.0°
C6	C5	C8	N1	180.0°	180.0°
C3	C4	C5	O1	180.0°	180.0°
C3	C4	C5	C8	180.0°	180.0°
C3	C4	O1	N1	180.0°	179.9°
C4	C3	C2	H1	180.0°	180.0°
C4	C5	C8	N2	180.0°	180.0°
C4	C5	C8	N1	0.0°	0.0°
C5	C4	O1	N1	0.0°	0.0°
C5	C4	C3	H4	180.0°	180.0°
C4	C5	C6	H5	180.0°	180.0°
C8	C5	C4	O1	0.0°	0.0°
C5	C8	N2	N1	179.9°	180.0°
C5	C8	N1	O1	0.0°	0.0°
C5	C8	N2	H2	179.9°	0.1°
C5	C8	N2	H3	60.0°	180.0°
C8	C5	C6	H5	0.1°	0.0°
C4	O1	N1	C8	0.0°	0.0°
O1	C4	C3	H4	0.0°	0.1°
N2	C8	N1	O1	179.9°	180.0°
C8	N2	H2	H3	120.0°	179.9°
N1	C8	N2	H2	0.0°	179.9°
N1	C8	N2	H3	120.0°	0.0°
H1	C2	C3	H4	0.0°	0.1°

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PDB entries from 2024-08-07

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