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Summary Geometry Related PDB entries

2PG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.53Å
C1	O1	doub	1.21Å	1.29Å
C1	O2	sing	1.34Å	1.28Å
C2	C3	sing	1.53Å	1.53Å
C2	O1P	sing	1.43Å	1.46Å
C2	H2	sing	1.09Å	1.12Å
C3	O3	sing	1.43Å	1.41Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.12Å
P	O1P	sing	1.61Å	1.59Å
P	O2P	doub	1.48Å	1.49Å
P	O3P	sing	1.61Å	1.51Å
P	O4P	sing	1.61Å	1.46Å
O2	HO2	sing	0.97Å	0.95Å
O3	H3	sing	0.97Å	0.95Å
O3P	HOP3	sing	0.97Å	0.95Å
O4P	HOP4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	111.3°	120.0°
C2	C1	O2	120.4°	120.0°
C1	C2	C3	106.8°	109.4°
C1	C2	O1P	109.4°	109.5°
C1	C2	H2	113.2°	109.4°
O1	C1	O2	128.3°	120.0°
C1	O2	HO2	120.3°	120.0°
C3	C2	O1P	114.6°	109.5°
C3	C2	H2	107.8°	109.5°
C2	C3	O3	117.6°	109.4°
C2	C3	H31	109.2°	109.5°
C2	C3	H32	109.2°	109.5°
O1P	C2	H2	105.1°	109.5°
C2	O1P	P	120.7°	106.8°
O3	C3	H31	109.3°	109.5°
O3	C3	H32	109.3°	109.5°
C3	O3	H3	117.6°	106.7°
H31	C3	H32	100.9°	109.4°
O1P	P	O2P	105.4°	109.4°
O1P	P	O3P	106.7°	109.5°
O1P	P	O4P	110.1°	109.5°
O2P	P	O3P	111.3°	109.4°
O2P	P	O4P	111.0°	109.5°
O3P	P	O4P	112.1°	109.4°
P	O3P	HOP3	106.7°	106.8°
P	O4P	HOP4	110.2°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O2	180.0°	180.0°
C1	C2	C3	O1P	121.4°	120.0°
C1	C2	C3	H2	122.0°	120.0°
C1	C2	O1P	H2	121.9°	120.0°
C1	C2	C3	O3	16.7°	180.0°
C1	C2	C3	H31	142.0°	60.0°
C1	C2	C3	H32	108.6°	60.0°
C1	C2	O1P	P	117.1°	120.0°
C2	C1	O2	HO2	180.0°	180.0°
O1	C1	C2	C3	134.8°	120.0°
O1	C1	C2	O1P	100.6°	0.0°
O1	C1	C2	H2	16.3°	120.0°
O1	C1	O2	HO2	0.1°	0.0°
O2	C1	C2	C3	45.1°	60.0°
O2	C1	C2	O1P	79.5°	179.9°
O2	C1	C2	H2	163.7°	60.0°
C3	C2	O1P	H2	118.2°	120.0°
C2	C3	O3	H31	125.2°	120.0°
C2	C3	O3	H32	125.2°	120.1°
C2	C3	H31	H32	114.9°	120.1°
C3	C2	O1P	P	123.0°	120.1°
C2	C3	O3	H3	180.0°	180.0°
O1P	C2	C3	O3	104.7°	60.0°
O1P	C2	C3	H31	20.6°	60.0°
O1P	C2	C3	H32	130.0°	180.0°
C2	O1P	P	O2P	86.5°	60.1°
C2	O1P	P	O3P	31.9°	180.0°
C2	O1P	P	O4P	153.8°	60.0°
H2	C2	C3	O3	138.7°	60.0°
H2	C2	C3	H31	96.0°	180.0°
H2	C2	C3	H32	13.4°	60.0°
H2	C2	O1P	P	4.8°	0.0°
O3	C3	H31	H32	115.1°	120.0°
H31	C3	O3	H3	54.8°	60.0°
H32	C3	O3	H3	54.7°	59.9°
O1P	P	O2P	O3P	115.2°	120.0°
O1P	P	O2P	O4P	119.2°	120.0°
O1P	P	O3P	O4P	120.6°	120.1°
O1P	P	O3P	HOP3	180.0°	179.9°
O1P	P	O4P	HOP4	180.0°	60.0°
O2P	P	O3P	O4P	124.9°	120.0°
O2P	P	O3P	HOP3	65.6°	60.0°
O2P	P	O4P	HOP4	63.7°	179.9°
O3P	P	O4P	HOP4	61.4°	60.1°
O4P	P	O3P	HOP3	59.4°	60.0°

246704

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