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Summary Geometry Related PDB entries

144

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N	sing	1.47Å	1.46Å
C1	H11	sing	1.09Å	1.12Å
C1	H12	sing	1.09Å	1.12Å
C1	H13	sing	1.09Å	1.11Å
N	C2	sing	1.47Å	1.50Å
N	C3	sing	1.47Å	1.52Å
N	C4	sing	1.47Å	1.49Å
C2	O2	sing	1.43Å	1.35Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.11Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.44Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.60Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	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)
N	C1	H11	108.2°	109.5°
N	C1	H12	112.7°	109.5°
N	C1	H13	112.7°	109.5°
C1	N	C2	108.2°	109.5°
C1	N	C3	106.1°	109.5°
C1	N	C4	105.8°	109.5°
H11	C1	H12	112.6°	109.4°
H11	C1	H13	112.7°	109.5°
H12	C1	H13	97.8°	109.4°
C2	N	C3	115.0°	109.5°
C2	N	C4	108.6°	109.5°
N	C2	O2	134.5°	109.5°
N	C2	H21	103.6°	109.5°
N	C2	H22	103.6°	109.5°
C3	N	C4	112.6°	109.5°
N	C3	O3	113.8°	109.5°
N	C3	H31	110.6°	109.5°
N	C3	H32	110.6°	109.5°
N	C4	O4	129.3°	109.5°
N	C4	H41	105.3°	109.5°
N	C4	H42	105.3°	109.5°
O2	C2	H21	103.6°	109.5°
O2	C2	H22	103.6°	109.5°
C2	O2	HO2	134.6°	106.8°
H21	C2	H22	105.1°	109.5°
O3	C3	H31	110.6°	109.5°
O3	C3	H32	110.7°	109.5°
C3	O3	HO3	113.8°	106.8°
H31	C3	H32	99.6°	109.4°
O4	C4	H41	105.3°	109.5°
O4	C4	H42	105.2°	109.5°
C4	O4	HO4	129.3°	106.8°
H41	C4	H42	103.9°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C1	H11	H12	125.2°	120.0°
N	C1	H11	H13	125.3°	120.0°
N	C1	H12	H13	118.7°	120.0°
C1	N	C2	C3	118.4°	120.0°
C1	N	C2	C4	114.4°	120.0°
C1	N	C3	C4	115.3°	120.0°
C1	N	C2	O2	50.3°	180.0°
C1	N	C2	H21	175.6°	60.0°
C1	N	C2	H22	74.9°	60.0°
C1	N	C3	O3	175.7°	60.0°
C1	N	C3	H31	50.4°	60.0°
C1	N	C3	H32	59.0°	180.0°
C1	N	C4	O4	42.2°	60.0°
C1	N	C4	H41	167.5°	180.0°
C1	N	C4	H42	83.0°	60.0°
H11	C1	H12	H13	118.6°	120.0°
H11	C1	N	C2	180.0°	60.0°
H11	C1	N	C3	56.1°	180.0°
H11	C1	N	C4	63.8°	60.0°
H12	C1	N	C2	54.8°	180.0°
H12	C1	N	C3	178.7°	60.0°
H12	C1	N	C4	61.4°	60.0°
H13	C1	N	C2	54.7°	60.0°
H13	C1	N	C3	69.2°	60.0°
H13	C1	N	C4	170.9°	180.0°
C2	N	C3	C4	125.2°	120.0°
N	C2	O2	H21	125.3°	120.0°
N	C2	O2	H22	125.2°	120.0°
N	C2	H21	H22	108.4°	120.0°
N	C2	O2	HO2	180.0°	180.0°
C2	N	C3	O3	64.8°	60.0°
C2	N	C3	H31	170.0°	180.0°
C2	N	C3	H32	60.6°	60.1°
C2	N	C4	O4	158.1°	60.0°
C2	N	C4	H41	76.6°	60.1°
C2	N	C4	H42	32.9°	180.0°
C3	N	C2	O2	168.7°	60.0°
C3	N	C2	H21	66.0°	180.0°
C3	N	C2	H22	43.5°	60.0°
N	C3	O3	H31	125.3°	120.0°
N	C3	O3	H32	125.3°	120.1°
N	C3	H31	H32	116.4°	120.0°
N	C3	O3	HO3	180.0°	180.0°
C3	N	C4	O4	73.3°	180.0°
C3	N	C4	H41	52.0°	60.0°
C3	N	C4	H42	161.5°	60.0°
C4	N	C2	O2	64.1°	60.0°
C4	N	C2	H21	61.2°	60.0°
C4	N	C2	H22	170.7°	180.0°
C4	N	C3	O3	60.4°	180.0°
C4	N	C3	H31	64.9°	60.0°
C4	N	C3	H32	174.3°	60.0°
N	C4	O4	H41	125.3°	120.1°
N	C4	O4	H42	125.3°	120.0°
N	C4	H41	H42	110.5°	120.0°
N	C4	O4	HO4	179.9°	180.0°
O2	C2	H21	H22	108.4°	120.0°
H21	C2	O2	HO2	54.7°	60.0°
H22	C2	O2	HO2	54.8°	60.0°
O3	C3	H31	H32	116.5°	120.0°
H31	C3	O3	HO3	54.7°	60.0°
H32	C3	O3	HO3	54.8°	60.0°
O4	C4	H41	H42	110.4°	120.0°
H41	C4	O4	HO4	54.8°	60.0°
H42	C4	O4	HO4	54.7°	60.0°

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