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Summary Geometry Related PDB entries

PSE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C2	sing	1.47Å	1.48Å
N2	HN21	sing	1.01Å	1.02Å
N2	HN22	sing	1.01Å	1.02Å
C2	C1	sing	1.53Å	1.55Å
C2	C3	sing	1.53Å	1.53Å
C2	H2	sing	1.09Å	1.12Å
C1	O1	sing	1.43Å	1.31Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.12Å
O1	HO1	sing	0.97Å	0.95Å
C3	O1P	sing	1.43Å	1.44Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.12Å
O1P	P	sing	1.61Å	1.60Å
O2P	P	doub	1.48Å	1.50Å
O3P	P	sing	1.61Å	1.50Å
O3P	HO3	sing	0.97Å	0.95Å
O4P	P	sing	1.61Å	1.54Å
O4P	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N2	HN21	107.6°	106.8°
C2	N2	HN22	112.9°	106.7°
N2	C2	C1	107.6°	109.5°
N2	C2	C3	110.0°	109.4°
N2	C2	H2	110.8°	109.5°
HN21	N2	HN22	112.9°	106.7°
C1	C2	C3	110.9°	109.5°
C1	C2	H2	109.9°	109.5°
C2	C1	O1	113.7°	109.5°
C2	C1	H11	110.6°	109.5°
C2	C1	H12	110.6°	109.5°
C3	C2	H2	107.6°	109.4°
C2	C3	O1P	106.1°	109.6°
C2	C3	H31	113.5°	109.4°
C2	C3	H32	113.4°	109.5°
O1	C1	H11	110.7°	109.5°
O1	C1	H12	110.7°	109.4°
C1	O1	HO1	113.7°	106.8°
H11	C1	H12	99.6°	109.5°
O1P	C3	H31	113.5°	109.5°
O1P	C3	H32	113.5°	109.5°
C3	O1P	P	122.3°	106.8°
H31	C3	H32	97.0°	109.4°
O1P	P	O2P	109.4°	109.4°
O1P	P	O3P	109.0°	109.5°
O1P	P	O4P	101.5°	109.4°
O2P	P	O3P	115.2°	109.5°
O2P	P	O4P	110.2°	109.5°
P	O3P	HO3	109.0°	106.8°
O3P	P	O4P	110.6°	109.5°
P	O4P	HO4	101.5°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N2	HN21	HN22	125.3°	113.7°
N2	C2	C1	C3	120.3°	120.0°
N2	C2	C1	H2	120.8°	120.0°
N2	C2	C3	H2	120.8°	120.0°
N2	C2	C1	O1	179.9°	60.0°
N2	C2	C1	H11	54.8°	180.0°
N2	C2	C1	H12	54.6°	60.0°
N2	C2	C3	O1P	47.3°	59.9°
N2	C2	C3	H31	172.6°	60.1°
N2	C2	C3	H32	77.9°	180.0°
HN21	N2	C2	C1	179.9°	173.7°
HN21	N2	C2	C3	59.1°	53.7°
HN21	N2	C2	H2	59.7°	66.3°
HN22	N2	C2	C1	54.7°	60.0°
HN22	N2	C2	C3	66.2°	60.1°
HN22	N2	C2	H2	174.9°	180.0°
C1	C2	C3	H2	120.2°	120.0°
C2	C1	O1	H11	125.3°	120.0°
C2	C1	O1	H12	125.2°	120.0°
C2	C1	H11	H12	116.4°	120.0°
C2	C1	O1	HO1	179.9°	180.0°
C1	C2	C3	O1P	71.6°	180.0°
C1	C2	C3	H31	53.7°	59.9°
C1	C2	C3	H32	163.2°	59.9°
C3	C2	C1	O1	59.8°	180.0°
C3	C2	C1	H11	65.5°	60.0°
C3	C2	C1	H12	174.9°	60.0°
C2	C3	O1P	H31	125.3°	120.0°
C2	C3	O1P	H32	125.2°	120.1°
C2	C3	H31	H32	119.3°	119.9°
C2	C3	O1P	P	164.4°	180.0°
H2	C2	C1	O1	59.1°	60.0°
H2	C2	C1	H11	175.6°	60.0°
H2	C2	C1	H12	66.2°	NaN°
H2	C2	C3	O1P	168.1°	60.0°
H2	C2	C3	H31	66.6°	179.9°
H2	C2	C3	H32	42.9°	60.1°
O1	C1	H11	H12	116.6°	120.0°
H11	C1	O1	HO1	54.8°	60.0°
H12	C1	O1	HO1	54.7°	60.0°
O1P	C3	H31	H32	119.4°	120.0°
C3	O1P	P	O2P	62.8°	60.0°
C3	O1P	P	O3P	64.0°	180.0°
C3	O1P	P	O4P	179.2°	60.0°
H31	C3	O1P	P	39.1°	60.0°
H32	C3	O1P	P	70.4°	59.9°
O1P	P	O2P	O3P	123.2°	120.0°
O1P	P	O2P	O4P	110.8°	120.0°
O1P	P	O3P	O4P	110.8°	120.0°
O1P	P	O3P	HO3	180.0°	180.0°
O1P	P	O4P	HO4	180.0°	60.0°
O2P	P	O3P	O4P	125.8°	120.0°
O2P	P	O3P	HO3	56.6°	60.0°
O2P	P	O4P	HO4	64.1°	180.0°
O3P	P	O4P	HO4	64.4°	60.0°
HO3	O3P	P	O4P	69.2°	60.0°

224572

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