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Summary Geometry Related PDB entries

680

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	N3	sing	1.22Å	1.23Å
N3	O2	doub	1.22Å	1.19Å
N3	C2	sing	1.48Å	1.39Å
C2	C1	doub	1.39Å	1.42Å
C2	C3	sing	1.40Å	1.40Å
C1	N2	sing	1.38Å	1.33Å
C1	N1	sing	1.34Å	1.36Å
N2	C5	sing	1.47Å	1.47Å
N2	HN2	sing	0.97Å	1.02Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.12Å
C5	H53	sing	1.09Å	1.12Å
N1	C4	doub	1.32Å	1.34Å
C4	N5	sing	1.37Å	1.33Å
C4	N4	sing	1.36Å	1.39Å
N5	HN51	sing	0.97Å	1.02Å
N5	HN52	sing	0.97Å	1.02Å
N4	C3	sing	1.35Å	1.36Å
N4	HN4	sing	0.97Å	1.02Å
C3	O1	doub	1.22Å	1.34Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	N3	O2	112.2°	120.0°
O3	N3	C2	125.5°	120.0°
O2	N3	C2	122.3°	119.9°
N3	C2	C1	120.0°	120.6°
N3	C2	C3	122.4°	120.7°
C1	C2	C3	117.5°	118.7°
C2	C1	N2	122.7°	120.1°
C2	C1	N1	119.9°	119.7°
C2	C3	N4	121.3°	118.9°
C2	C3	O1	123.0°	120.6°
N2	C1	N1	117.3°	120.2°
C1	N2	C5	120.8°	120.0°
C1	N2	HN2	108.2°	120.0°
C1	N1	C4	120.8°	121.2°
C5	N2	HN2	108.1°	120.0°
N2	C5	H51	120.8°	109.4°
N2	C5	H52	108.2°	109.5°
N2	C5	H53	108.2°	109.5°
H51	C5	H52	108.2°	109.5°
H51	C5	H53	108.1°	109.5°
H52	C5	H53	101.7°	109.5°
N1	C4	N5	117.7°	119.3°
N1	C4	N4	121.7°	121.3°
N5	C4	N4	120.5°	119.3°
C4	N5	HN51	117.8°	120.0°
C4	N5	HN52	109.3°	120.0°
C4	N4	C3	118.7°	120.2°
C4	N4	HN4	121.8°	119.9°
HN51	N5	HN52	109.2°	120.0°
C3	N4	HN4	119.5°	119.9°
N4	C3	O1	115.7°	120.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	N3	O2	C2	178.0°	180.0°
O3	N3	C2	C1	5.1°	5.7°
O3	N3	C2	C3	177.4°	174.4°
O2	N3	C2	C1	177.2°	174.4°
O2	N3	C2	C3	0.4°	5.6°
N3	C2	C1	C3	177.7°	179.9°
N3	C2	C1	N2	2.4°	0.0°
N3	C2	C1	N1	179.2°	179.8°
N3	C2	C3	N4	180.0°	179.9°
N3	C2	C3	O1	1.4°	0.1°
C2	C1	N2	N1	178.4°	179.7°
C2	C1	N2	C5	177.5°	174.6°
C2	C1	N2	HN2	52.3°	5.4°
C2	C1	N1	C4	0.3°	0.6°
C1	C2	C3	N4	2.4°	0.0°
C1	C2	C3	O1	179.0°	180.0°
C3	C2	C1	N2	179.9°	180.0°
C3	C2	C1	N1	1.6°	0.3°
C2	C3	N4	C4	1.9°	0.0°
C2	C3	N4	O1	178.7°	180.0°
C2	C3	N4	HN4	178.0°	180.0°
C1	N2	C5	HN2	125.2°	180.0°
C1	N2	C5	H51	180.0°	60.0°
C1	N2	C5	H52	54.7°	60.0°
C1	N2	C5	H53	54.7°	180.0°
N2	C1	N1	C4	178.7°	179.7°
N1	C1	N2	C5	4.1°	5.6°
N1	C1	N2	HN2	129.3°	174.4°
C1	N1	C4	N5	179.6°	179.7°
C1	N1	C4	N4	0.2°	0.6°
N2	C5	H51	H52	125.3°	120.0°
N2	C5	H51	H53	125.3°	120.0°
N2	C5	H52	H53	113.8°	120.0°
HN2	N2	C5	H51	54.8°	119.9°
HN2	N2	C5	H52	70.6°	120.0°
HN2	N2	C5	H53	180.0°	0.0°
H51	C5	H52	H53	113.7°	120.0°
N1	C4	N5	N4	179.8°	179.7°
N1	C4	N5	HN51	180.0°	179.7°
N1	C4	N5	HN52	54.7°	0.3°
N1	C4	N4	C3	0.6°	0.3°
N1	C4	N4	HN4	179.4°	179.7°
C4	N5	HN51	HN52	125.3°	180.0°
N5	C4	N4	C3	179.6°	180.0°
N5	C4	N4	HN4	0.4°	0.1°
N4	C4	N5	HN51	0.2°	0.0°
N4	C4	N5	HN52	125.5°	180.0°
C4	N4	C3	HN4	180.0°	180.0°
C4	N4	C3	O1	179.4°	180.0°
HN4	N4	C3	O1	0.6°	0.1°

225681

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