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Summary Geometry Related PDB entries

3PY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.21Å	1.24Å
C1	O2	sing	1.35Å	1.25Å
C1	C2	sing	1.49Å	1.53Å
O2	HO2	sing	0.97Å	0.95Å
C2	O3	doub	1.21Å	1.46Å
C2	C3	sing	1.51Å	1.56Å
C3	O4	sing	1.43Å	1.24Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.12Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	103.5°	120.0°
O1	C1	C2	115.8°	120.0°
O2	C1	C2	140.7°	120.0°
C1	O2	HO2	103.5°	120.0°
C1	C2	O3	102.3°	120.0°
C1	C2	C3	125.5°	120.1°
O3	C2	C3	112.7°	120.0°
C2	C3	O4	102.8°	109.5°
C2	C3	H31	114.8°	109.4°
C2	C3	H32	114.8°	109.4°
O4	C3	H31	114.8°	109.5°
O4	C3	H32	114.7°	109.5°
C3	O4	HO4	102.8°	106.8°
H31	C3	H32	95.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	176.9°	180.0°
O1	C1	O2	HO2	180.0°	0.0°
O1	C1	C2	O3	175.5°	180.0°
O1	C1	C2	C3	54.6°	0.0°
O2	C1	C2	O3	1.1°	0.0°
O2	C1	C2	C3	128.8°	180.0°
C2	C1	O2	HO2	3.2°	180.0°
C1	C2	O3	C3	137.4°	180.0°
C1	C2	C3	O4	49.3°	180.0°
C1	C2	C3	H31	174.6°	60.0°
C1	C2	C3	H32	75.9°	60.0°
O3	C2	C3	O4	76.3°	0.0°
O3	C2	C3	H31	48.9°	120.0°
O3	C2	C3	H32	158.5°	120.0°
C2	C3	O4	H31	125.3°	120.0°
C2	C3	O4	H32	125.3°	120.0°
C2	C3	H31	H32	120.7°	119.9°
C2	C3	O4	HO4	180.0°	180.0°
O4	C3	H31	H32	120.6°	120.0°
H31	C3	O4	HO4	54.8°	60.0°
H32	C3	O4	HO4	54.7°	60.0°

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