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Summary Geometry Related PDB entries

DER

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OH2	C1	sing	1.34Å	1.24Å
OH2	HOH	sing	0.97Å	0.95Å
C1	OH1	doub	1.21Å	1.23Å
C1	C2	sing	1.51Å	1.51Å
C2	O2	sing	1.43Å	1.42Å
C2	C3	sing	1.53Å	1.52Å
C2	H2	sing	1.09Å	1.11Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.41Å
C3	C4	sing	1.53Å	1.52Å
C3	H3	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.44Å
C4	H41	sing	1.09Å	1.12Å
C4	H42	sing	1.09Å	1.11Å
O4	P	sing	1.61Å	1.60Å
P	O1P	doub	1.48Å	1.50Å
P	O2P	sing	1.61Å	1.51Å
P	O3P	sing	1.61Å	1.51Å
O2P	HP2	sing	0.97Å	0.95Å
O3P	HP3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	OH2	HOH	120.5°	120.0°
OH2	C1	OH1	120.5°	119.9°
OH2	C1	C2	119.8°	120.0°
OH1	C1	C2	119.6°	120.1°
C1	C2	O2	112.5°	109.5°
C1	C2	C3	105.6°	109.6°
C1	C2	H2	110.0°	109.5°
O2	C2	C3	109.2°	109.5°
O2	C2	H2	106.4°	109.5°
C2	O2	HO2	112.5°	106.8°
C3	C2	H2	113.3°	109.4°
C2	C3	O3	106.7°	109.4°
C2	C3	C4	112.3°	109.6°
C2	C3	H3	109.5°	109.5°
O3	C3	C4	109.8°	109.4°
O3	C3	H3	112.1°	109.4°
C3	O3	HO3	106.7°	106.9°
C4	C3	H3	106.4°	109.5°
C3	C4	O4	110.0°	109.5°
C3	C4	H41	112.0°	109.5°
C3	C4	H42	112.0°	109.5°
O4	C4	H41	112.0°	109.4°
O4	C4	H42	112.0°	109.5°
C4	O4	P	116.4°	106.9°
H41	C4	H42	98.4°	109.4°
O4	P	O1P	109.4°	109.5°
O4	P	O2P	104.1°	109.5°
O4	P	O3P	104.8°	109.5°
O1P	P	O2P	114.4°	109.5°
O1P	P	O3P	108.0°	109.4°
O2P	P	O3P	115.4°	109.5°
P	O2P	HP2	104.1°	106.8°
P	O3P	HP3	104.8°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OH2	C1	OH1	C2	178.7°	180.0°
OH2	C1	C2	O2	133.3°	180.0°
OH2	C1	C2	C3	107.6°	60.0°
OH2	C1	C2	H2	14.9°	60.0°
HOH	OH2	C1	OH1	180.0°	0.0°
HOH	OH2	C1	C2	1.3°	180.0°
OH1	C1	C2	O2	48.0°	0.0°
OH1	C1	C2	C3	71.0°	120.0°
OH1	C1	C2	H2	166.5°	120.0°
C1	C2	O2	C3	116.9°	120.1°
C1	C2	O2	H2	120.5°	120.0°
C1	C2	C3	H2	120.4°	120.0°
C1	C2	O2	HO2	180.0°	60.0°
C1	C2	C3	O3	60.9°	60.0°
C1	C2	C3	C4	178.8°	180.0°
C1	C2	C3	H3	60.7°	59.9°
O2	C2	C3	H2	118.4°	119.9°
O2	C2	C3	O3	60.3°	60.0°
O2	C2	C3	C4	60.0°	59.9°
O2	C2	C3	H3	178.1°	180.0°
C3	C2	O2	HO2	63.1°	60.1°
C2	C3	O3	C4	122.0°	120.0°
C2	C3	O3	H3	119.9°	120.0°
C2	C3	C4	H3	119.9°	120.1°
C2	C3	O3	HO3	180.0°	60.0°
C2	C3	C4	O4	53.4°	180.0°
C2	C3	C4	H41	71.8°	59.9°
C2	C3	C4	H42	178.7°	60.0°
H2	C2	O2	HO2	59.5°	180.0°
H2	C2	C3	O3	178.7°	180.0°
H2	C2	C3	C4	58.4°	60.0°
H2	C2	C3	H3	59.7°	60.1°
O3	C3	C4	H3	121.5°	120.0°
O3	C3	C4	O4	172.0°	60.0°
O3	C3	C4	H41	46.8°	60.0°
O3	C3	C4	H42	62.7°	179.9°
C4	C3	O3	HO3	58.0°	60.1°
C3	C4	O4	H41	125.3°	120.0°
C3	C4	O4	H42	125.3°	120.1°
C3	C4	H41	H42	117.9°	120.0°
C3	C4	O4	P	165.5°	180.0°
H3	C3	O3	HO3	60.1°	179.9°
H3	C3	C4	O4	66.4°	59.9°
H3	C3	C4	H41	168.3°	180.0°
H3	C3	C4	H42	58.8°	60.1°
O4	C4	H41	H42	117.9°	119.9°
C4	O4	P	O1P	158.1°	60.0°
C4	O4	P	O2P	79.1°	180.0°
C4	O4	P	O3P	42.5°	60.0°
H41	C4	O4	P	69.2°	60.0°
H42	C4	O4	P	40.3°	59.9°
O4	P	O1P	O2P	116.4°	120.0°
O4	P	O1P	O3P	113.6°	120.0°
O4	P	O2P	O3P	114.3°	120.0°
O4	P	O2P	HP2	180.0°	179.9°
O4	P	O3P	HP3	180.0°	60.1°
O1P	P	O2P	O3P	126.3°	120.0°
O1P	P	O2P	HP2	60.6°	59.9°
O1P	P	O3P	HP3	63.4°	180.0°
O2P	P	O3P	HP3	66.1°	60.0°
O3P	P	O2P	HP2	65.7°	60.0°

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