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Summary Geometry Related PDB entries

AY9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.52Å	1.39Å
C1	O5	sing	1.43Å	1.46Å
C2	C3	sing	1.47Å	1.41Å
C2	O2	doub	1.21Å	1.23Å
C3	C4	doub	1.34Å	1.41Å
C3	O3	sing	1.36Å	1.37Å
C4	C5	sing	1.50Å	1.41Å
C5	C6	sing	1.53Å	1.53Å
C5	O5	sing	1.43Å	1.46Å
C6	O6	sing	1.43Å	1.43Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
O3	HO3	sing	0.97Å	0.95Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O5	116.8°	107.1°
C1	C2	C3	118.5°	117.0°
C1	C2	O2	118.6°	121.5°
C2	C1	H11	107.6°	109.9°
C2	C1	H12	107.6°	109.9°
C1	O5	C5	109.2°	113.7°
O5	C1	H11	107.6°	109.9°
O5	C1	H12	107.6°	110.0°
C3	C2	O2	123.0°	121.5°
C2	C3	C4	119.5°	119.1°
C2	C3	O3	120.3°	120.5°
C4	C3	O3	120.2°	120.5°
C3	C4	C5	119.9°	121.9°
C3	C4	H4	120.1°	119.0°
C3	O3	HO3	109.5°	114.0°
C4	C5	C6	118.4°	109.1°
C4	C5	O5	113.2°	111.3°
C5	C4	H4	120.0°	119.1°
C4	C5	H5	105.9°	109.1°
C6	C5	O5	108.2°	109.1°
C5	C6	O6	109.1°	109.5°
C6	C5	H5	104.6°	109.1°
C5	C6	H61	109.6°	109.5°
C5	C6	H62	109.6°	109.4°
O5	C5	H5	105.3°	109.1°
O6	C6	H61	109.6°	109.4°
O6	C6	H62	109.6°	109.5°
C6	O6	HO6	109.5°	114.0°
H11	C1	H12	109.5°	109.9°
H61	C6	H62	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	H11	121.1°	119.4°
C2	C1	O5	H12	121.1°	119.4°
C1	C2	C3	O2	179.3°	180.0°
C1	C2	C3	C4	1.8°	11.0°
C1	C2	C3	O3	178.7°	169.0°
C2	C1	O5	C5	50.3°	62.8°
C2	C1	H11	H12	116.7°	121.1°
O5	C1	C2	C3	23.5°	40.2°
O5	C1	C2	O2	155.8°	139.8°
C1	O5	C5	C4	52.8°	53.7°
C1	O5	C5	C6	173.9°	174.1°
O5	C1	H11	H12	116.7°	121.2°
C1	O5	C5	H5	62.5°	66.8°
C2	C3	C4	O3	179.5°	179.9°
C2	C3	C4	C5	2.3°	0.4°
C3	C2	C1	H11	144.6°	159.6°
C3	C2	C1	H12	97.6°	79.3°
C2	C3	C4	H4	177.6°	179.6°
C2	C3	O3	HO3	0.3°	0.0°
O2	C2	C3	C4	178.9°	169.0°
O2	C2	C3	O3	0.6°	11.0°
O2	C2	C1	H11	34.8°	20.4°
O2	C2	C1	H12	83.1°	100.7°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	158.9°	140.9°
C3	C4	C5	O5	30.7°	20.5°
C4	C3	O3	HO3	179.2°	179.9°
C3	C4	C5	H5	84.2°	100.0°
O3	C3	C4	C5	177.1°	179.6°
O3	C3	C4	H4	2.9°	0.5°
C4	C5	C6	O5	130.5°	121.8°
C4	C5	C6	H5	117.6°	119.1°
C4	C5	O5	H5	115.3°	120.4°
C4	C5	C6	O6	137.3°	175.0°
C4	C5	C6	H61	17.3°	55.0°
C4	C5	C6	H62	102.8°	65.1°
C6	C5	O5	H5	111.5°	119.1°
C5	C6	O6	H61	120.0°	120.0°
C5	C6	O6	H62	120.0°	120.0°
C6	C5	C4	H4	21.1°	39.0°
C5	C6	H61	H62	120.2°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O5	C5	C6	O6	92.3°	63.3°
C5	O5	C1	H11	171.4°	177.8°
C5	O5	C1	H12	70.8°	56.6°
O5	C5	C4	H4	149.3°	159.5°
O5	C5	C6	H61	147.8°	176.8°
O5	C5	C6	H62	27.7°	56.7°
O6	C6	C5	H5	19.6°	55.9°
O6	C6	H61	H62	120.2°	120.0°
H4	C4	C5	H5	95.9°	80.1°
H5	C5	C6	H61	100.3°	64.1°
H5	C5	C6	H62	139.6°	175.9°
H61	C6	O6	HO6	60.1°	60.0°
H62	C6	O6	HO6	60.0°	60.0°

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