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Summary Geometry Related PDB entries

217

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.55Å
C1	O1	sing	1.43Å	1.42Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.53Å
C2	O2	sing	1.43Å	1.41Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.53Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	C5	sing	1.51Å	1.50Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	C6	doub	1.31Å	1.35Å
C5	H5	sing	1.08Å	1.08Å
C6	H61	sing	1.08Å	1.08Å
C6	H62	sing	1.08Å	1.08Å
O1	HO1	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	115.0°	109.5°
C2	C1	H11	106.4°	109.5°
C2	C1	H12	107.7°	109.4°
C1	C2	C3	114.8°	109.5°
C1	C2	O2	111.0°	109.4°
C1	C2	H2	104.6°	109.5°
O1	C1	H11	106.4°	109.5°
O1	C1	H12	107.7°	109.5°
C1	O1	HO1	109.5°	106.8°
H11	C1	H12	113.9°	109.5°
C3	C2	O2	109.5°	109.5°
C3	C2	H2	106.3°	109.5°
C2	C3	C4	113.5°	109.5°
C2	C3	H31	107.2°	109.5°
C2	C3	H32	108.1°	109.5°
O2	C2	H2	110.4°	109.5°
C2	O2	HO2	109.5°	106.8°
C4	C3	H31	107.2°	109.4°
C4	C3	H32	108.1°	109.4°
C3	C4	C5	111.3°	109.5°
C3	C4	H41	108.5°	109.4°
C3	C4	H42	108.9°	109.4°
H31	C3	H32	112.8°	109.5°
C5	C4	H41	108.5°	109.4°
C5	C4	H42	108.8°	109.5°
C4	C5	C6	126.3°	120.1°
C4	C5	H5	116.8°	119.9°
H41	C4	H42	110.9°	109.5°
C6	C5	H5	116.8°	120.0°
C5	C6	H61	125.3°	119.9°
C5	C6	H62	109.5°	120.0°
H61	C6	H62	125.2°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	H11	117.5°	120.0°
C2	C1	O1	H12	120.0°	119.9°
C2	C1	H11	H12	118.5°	119.9°
C1	C2	C3	O2	125.6°	120.0°
C1	C2	C3	H2	115.1°	120.0°
C1	C2	O2	H2	115.5°	120.0°
C1	C2	C3	C4	145.1°	175.0°
C1	C2	C3	H31	26.9°	65.0°
C1	C2	C3	H32	94.9°	55.0°
C2	C1	O1	HO1	173.7°	180.0°
C1	C2	O2	HO2	49.2°	60.0°
O1	C1	H11	H12	118.5°	120.1°
O1	C1	C2	C3	6.9°	175.0°
O1	C1	C2	O2	131.8°	65.0°
O1	C1	C2	H2	109.2°	55.0°
H11	C1	C2	C3	124.5°	65.0°
H11	C1	C2	O2	110.7°	55.0°
H11	C1	C2	H2	8.4°	175.0°
H11	C1	O1	HO1	68.7°	60.0°
H12	C1	C2	C3	113.1°	55.0°
H12	C1	C2	O2	11.8°	175.0°
H12	C1	C2	H2	130.9°	65.0°
H12	C1	O1	HO1	53.7°	60.1°
C3	C2	O2	H2	116.7°	120.0°
C2	C3	C4	H31	118.2°	120.0°
C2	C3	C4	H32	120.0°	120.0°
C2	C3	H31	H32	118.9°	120.0°
C2	C3	C4	C5	160.7°	180.0°
C2	C3	C4	H41	80.0°	60.0°
C2	C3	C4	H42	40.8°	60.0°
C3	C2	O2	HO2	78.6°	60.0°
O2	C2	C3	C4	89.3°	65.0°
O2	C2	C3	H31	152.5°	55.0°
O2	C2	C3	H32	30.7°	175.0°
H2	C2	C3	C4	30.0°	55.0°
H2	C2	C3	H31	88.2°	175.0°
H2	C2	C3	H32	150.0°	65.0°
H2	C2	O2	HO2	164.8°	180.0°
C4	C3	H31	H32	118.9°	119.9°
C3	C4	C5	H41	119.2°	120.0°
C3	C4	C5	H42	120.0°	120.0°
C3	C4	H41	H42	119.5°	119.9°
C3	C4	C5	C6	94.0°	125.0°
C3	C4	C5	H5	86.0°	55.0°
H31	C3	C4	C5	42.6°	60.0°
H31	C3	C4	H41	161.8°	180.0°
H31	C3	C4	H42	77.4°	60.1°
H32	C3	C4	C5	79.3°	59.9°
H32	C3	C4	H41	40.0°	60.1°
H32	C3	C4	H42	160.7°	180.0°
C5	C4	H41	H42	119.5°	120.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	H61	0.0°	0.0°
C4	C5	C6	H62	180.0°	180.0°
H41	C4	C5	C6	25.3°	5.0°
H41	C4	C5	H5	154.7°	175.0°
H42	C4	C5	C6	146.0°	115.0°
H42	C4	C5	H5	34.0°	65.0°
C5	C6	H61	H62	180.0°	180.0°
H5	C5	C6	H61	180.0°	180.0°
H5	C5	C6	H62	0.0°	0.0°

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