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Summary Geometry Related PDB entries

NEN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	doub	1.21Å	1.23Å
N1	C2	sing	1.34Å	1.40Å
N1	C3	sing	1.34Å	1.39Å
N1	C5	sing	1.47Å	1.46Å
C1	C2	sing	1.51Å	1.49Å
C1	C4	sing	1.54Å	1.53Å
C1	H11	sing	1.09Å	1.12Å
C1	H12	sing	1.09Å	1.12Å
O2	C3	doub	1.21Å	1.22Å
C3	C4	sing	1.51Å	1.54Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.11Å
C5	C6	sing	1.53Å	1.53Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.12Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.12Å
C6	H63	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	N1	124.8°	125.4°
O1	C2	C1	127.0°	125.4°
C2	N1	C3	112.5°	114.5°
C2	N1	C5	124.7°	122.8°
N1	C2	C1	108.2°	109.2°
C3	N1	C5	122.7°	122.7°
N1	C3	O2	125.5°	125.4°
N1	C3	C4	108.2°	109.1°
N1	C5	C6	111.6°	109.5°
N1	C5	H51	111.4°	109.5°
N1	C5	H52	111.4°	109.5°
C2	C1	C4	106.4°	103.5°
C2	C1	H11	113.4°	110.6°
C2	C1	H12	113.3°	110.6°
C4	C1	H11	113.4°	110.6°
C4	C1	H12	113.4°	110.6°
C1	C4	C3	102.8°	103.6°
C1	C4	H41	114.7°	110.6°
C1	C4	H42	114.7°	110.6°
H11	C1	H12	97.1°	110.6°
O2	C3	C4	126.4°	125.4°
C3	C4	H41	114.8°	110.7°
C3	C4	H42	114.8°	110.5°
H41	C4	H42	95.8°	110.6°
C6	C5	H51	111.4°	109.5°
C6	C5	H52	111.4°	109.5°
C5	C6	H61	111.6°	109.5°
C5	C6	H62	111.4°	109.5°
C5	C6	H63	111.4°	109.4°
H51	C5	H52	99.0°	109.5°
H61	C6	H62	111.4°	109.5°
H61	C6	H63	111.5°	109.4°
H62	C6	H63	99.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	N1	C1	179.1°	180.0°
O1	C2	N1	C3	174.5°	179.7°
O1	C2	N1	C5	6.6°	0.0°
O1	C2	C1	C4	168.3°	180.0°
O1	C2	C1	H11	66.4°	61.5°
O1	C2	C1	H12	43.1°	61.4°
C2	N1	C3	C5	178.9°	179.7°
N1	C2	C1	C4	12.6°	0.0°
N1	C2	C1	H11	112.7°	118.5°
N1	C2	C1	H12	137.9°	118.6°
C2	N1	C3	O2	176.6°	179.9°
C2	N1	C3	C4	2.5°	0.4°
C2	N1	C5	C6	90.9°	90.0°
C2	N1	C5	H51	143.8°	30.0°
C2	N1	C5	H52	34.3°	150.0°
C3	N1	C2	C1	6.5°	0.2°
N1	C3	C4	C1	9.9°	0.4°
N1	C3	O2	C4	178.9°	179.6°
N1	C3	C4	H41	135.1°	118.3°
N1	C3	C4	H42	115.3°	118.8°
C3	N1	C5	C6	87.9°	90.3°
C3	N1	C5	H51	37.4°	149.7°
C3	N1	C5	H52	146.9°	29.7°
C5	N1	C2	C1	172.4°	180.0°
C5	N1	C3	O2	2.3°	0.2°
C5	N1	C3	C4	178.6°	179.9°
N1	C5	C6	H51	125.3°	120.0°
N1	C5	C6	H52	125.2°	120.0°
N1	C5	H51	H52	117.3°	120.0°
N1	C5	C6	H61	179.9°	180.0°
N1	C5	C6	H62	54.8°	59.9°
N1	C5	C6	H63	54.7°	60.1°
C2	C1	C4	H11	125.3°	118.5°
C2	C1	C4	H12	125.2°	118.6°
C2	C1	H11	H12	119.2°	122.9°
C2	C1	C4	C3	13.3°	0.2°
C2	C1	C4	H41	138.7°	118.5°
C2	C1	C4	H42	111.9°	118.6°
C4	C1	H11	H12	119.3°	122.9°
C1	C4	C3	O2	169.2°	180.0°
C1	C4	C3	H41	125.2°	118.6°
C1	C4	C3	H42	125.2°	118.5°
C1	C4	H41	H42	120.5°	122.9°
H11	C1	C4	C3	112.0°	118.7°
H11	C1	C4	H41	13.4°	0.0°
H11	C1	C4	H42	122.8°	122.9°
H12	C1	C4	C3	138.6°	118.4°
H12	C1	C4	H41	96.1°	122.9°
H12	C1	C4	H42	13.3°	0.0°
O2	C3	C4	H41	43.9°	61.4°
O2	C3	C4	H42	65.6°	61.5°
C3	C4	H41	H42	120.7°	122.8°
C6	C5	H51	H52	117.3°	120.0°
C5	C6	H61	H62	125.2°	120.1°
C5	C6	H61	H63	125.3°	119.9°
C5	C6	H62	H63	117.3°	120.0°
H51	C5	C6	H61	54.8°	60.0°
H51	C5	C6	H62	180.0°	60.1°
H51	C5	C6	H63	70.6°	180.0°
H52	C5	C6	H61	54.7°	60.0°
H52	C5	C6	H62	70.5°	179.9°
H52	C5	C6	H63	179.9°	60.0°
H61	C6	H62	H63	117.4°	120.0°

226707

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