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Summary Geometry Related PDB entries

F3T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C4	sing	1.47Å	1.45Å
C1	O1	sing	1.34Å	1.26Å
C1	C2	sing	1.51Å	1.53Å
C1	O2	doub	1.21Å	1.26Å
F1	C5	sing	1.40Å	1.33Å
C2	C3	sing	1.53Å	1.54Å
F2	C5	sing	1.40Å	1.33Å
C3	O3	sing	1.43Å	1.44Å
C3	C4	sing	1.53Å	1.54Å
F3	C5	sing	1.40Å	1.32Å
C4	C5	sing	1.53Å	1.54Å
N	HN	sing	1.01Å	1.00Å
N	HNA	sing	1.01Å	1.00Å
O1	HO1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	H4	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C4	C3	110.9°	109.4°
N	C4	C5	107.5°	109.5°
C4	N	HN	109.5°	111.0°
C4	N	HNA	109.5°	110.9°
N	C4	H4	111.1°	109.5°
O1	C1	C2	119.6°	120.0°
O1	C1	O2	122.2°	120.0°
C1	O1	HO1	109.5°	117.0°
C2	C1	O2	118.2°	120.0°
C1	C2	C3	113.7°	109.4°
C1	C2	H2	108.1°	109.5°
C1	C2	H2A	108.1°	109.5°
F1	C5	F2	107.6°	109.4°
F1	C5	F3	108.1°	109.5°
F1	C5	C4	111.6°	109.5°
C2	C3	O3	112.3°	109.5°
C2	C3	C4	113.4°	109.5°
C3	C2	H2	108.1°	109.4°
C3	C2	H2A	108.1°	109.4°
C2	C3	H3	105.2°	109.5°
F2	C5	F3	109.6°	109.5°
F2	C5	C4	112.0°	109.5°
O3	C3	C4	111.1°	109.5°
O3	C3	H3	107.8°	109.5°
C3	O3	HO3	109.5°	114.0°
C3	C4	C5	113.0°	109.5°
C4	C3	H3	106.6°	109.5°
C3	C4	H4	105.4°	109.5°
F3	C5	C4	107.8°	109.5°
C5	C4	H4	108.9°	109.5°
HN	N	HNA	109.5°	111.0°
H2	C2	H2A	110.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C4	C5	F1	36.0°	60.0°
N	C4	C3	C2	48.9°	60.0°
N	C4	C5	F2	156.7°	60.0°
N	C4	C3	O3	78.7°	60.0°
N	C4	C3	C5	120.8°	120.0°
N	C4	C3	H4	120.3°	120.0°
N	C4	C5	F3	82.6°	180.0°
N	C4	C5	H4	120.5°	120.0°
C4	N	HN	HNA	120.0°	123.9°
N	C4	C3	H3	164.1°	180.0°
O1	C1	C2	O2	179.6°	180.0°
O1	C1	C2	C3	79.0°	180.0°
O1	C1	C2	H2	41.0°	60.1°
O1	C1	C2	H2A	161.1°	60.0°
C1	C2	C3	H2	120.0°	120.0°
C1	C2	C3	H2A	120.0°	120.0°
C1	C2	C3	O3	26.5°	65.0°
C1	C2	C3	C4	100.5°	175.0°
C2	C1	O1	HO1	179.6°	180.0°
C1	C2	H2	H2A	118.3°	120.1°
C1	C2	C3	H3	143.4°	55.0°
O2	C1	C2	C3	101.4°	0.0°
O2	C1	O1	HO1	0.0°	0.0°
O2	C1	C2	H2	138.6°	119.9°
O2	C1	C2	H2A	18.6°	120.0°
F1	C5	F2	F3	117.3°	120.0°
F1	C5	F2	C4	123.1°	120.0°
F1	C5	C4	C3	86.8°	60.0°
F1	C5	F3	C4	120.8°	120.0°
F1	C5	C4	H4	156.5°	180.0°
C2	C3	O3	C4	128.2°	120.0°
C2	C3	O3	H3	115.4°	120.0°
C2	C3	C4	H3	115.2°	120.0°
C2	C3	C4	C5	169.7°	180.0°
C3	C2	H2	H2A	118.3°	120.0°
C2	C3	O3	HO3	180.0°	60.0°
C2	C3	C4	H4	71.5°	60.0°
F2	C5	C4	C3	34.0°	180.0°
F2	C5	F3	C4	122.2°	120.0°
F2	C5	C4	H4	82.8°	60.1°
O3	C3	C4	H3	117.2°	120.0°
O3	C3	C4	C5	42.1°	60.0°
O3	C3	C2	H2	93.6°	175.0°
O3	C3	C2	H2A	146.4°	55.0°
O3	C3	C4	H4	160.9°	180.0°
C3	C4	C5	F3	154.7°	60.0°
C3	C4	C5	H4	116.8°	120.0°
C3	C4	N	HN	180.0°	60.0°
C3	C4	N	HNA	60.0°	176.1°
C4	C3	C2	H2	139.5°	55.0°
C4	C3	C2	H2A	19.5°	65.0°
C4	C3	O3	HO3	51.8°	60.0°
F3	C5	C4	H4	37.9°	60.0°
C5	C4	N	HN	56.0°	60.0°
C5	C4	N	HNA	176.0°	64.0°
C5	C4	C3	H3	75.1°	60.0°
HN	N	C4	H4	63.1°	180.0°
HNA	N	C4	H4	56.9°	56.1°
H2	C2	C3	H3	23.4°	65.0°
H2A	C2	C3	H3	96.6°	175.0°
H3	C3	O3	HO3	64.6°	180.0°
H3	C3	C4	H4	43.8°	60.0°

222415

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