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Summary Geometry Related PDB entries

NTC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	O1	sing	1.22Å	1.20Å
N1	O2	doub	1.22Å	1.21Å
N1	C2	sing	1.47Å	1.51Å
C2	C3	sing	1.53Å	1.53Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.11Å
C3	O7	sing	1.43Å	1.45Å
C3	C4	sing	1.53Å	1.58Å
C3	C6	sing	1.51Å	1.57Å
O7	HO7	sing	0.97Å	0.95Å
C4	C5	sing	1.51Å	1.51Å
C4	H41	sing	1.09Å	1.12Å
C4	H42	sing	1.09Å	1.12Å
C5	O3	doub	1.21Å	1.21Å
C5	O4	sing	1.34Å	1.21Å
O4	HO4	sing	0.97Å	0.95Å
C6	O5	doub	1.21Å	1.27Å
C6	O6	sing	1.34Å	1.28Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	N1	O2	126.7°	120.0°
O1	N1	C2	105.3°	120.0°
O2	N1	C2	127.5°	120.0°
N1	C2	C3	127.3°	109.5°
N1	C2	H21	106.0°	109.5°
N1	C2	H22	105.9°	109.4°
C3	C2	H21	106.0°	109.5°
C3	C2	H22	105.9°	109.5°
C2	C3	O7	104.8°	109.5°
C2	C3	C4	92.3°	109.4°
C2	C3	C6	114.5°	109.5°
H21	C2	H22	103.5°	109.5°
O7	C3	C4	123.5°	109.5°
O7	C3	C6	109.9°	109.5°
C3	O7	HO7	104.9°	106.8°
C4	C3	C6	110.6°	109.4°
C3	C4	C5	125.7°	109.5°
C3	C4	H41	106.4°	109.5°
C3	C4	H42	106.5°	109.5°
C3	C6	O5	118.5°	120.0°
C3	C6	O6	118.7°	120.0°
C5	C4	H41	106.5°	109.5°
C5	C4	H42	106.5°	109.4°
C4	C5	O3	117.7°	120.0°
C4	C5	O4	119.0°	120.0°
H41	C4	H42	103.1°	109.5°
O3	C5	O4	123.3°	120.0°
C5	O4	HO4	119.0°	120.0°
O5	C6	O6	122.8°	120.0°
C6	O6	HO6	118.6°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	N1	O2	C2	171.7°	179.9°
O1	N1	C2	C3	152.8°	45.0°
O1	N1	C2	H21	27.5°	165.0°
O1	N1	C2	H22	82.0°	75.0°
O2	N1	C2	C3	20.3°	135.0°
O2	N1	C2	H21	145.6°	14.9°
O2	N1	C2	H22	104.9°	105.1°
N1	C2	C3	H21	125.3°	120.0°
N1	C2	C3	H22	125.2°	120.0°
N1	C2	H21	H22	111.2°	120.0°
N1	C2	C3	O7	109.1°	60.0°
N1	C2	C3	C4	125.3°	180.0°
N1	C2	C3	C6	11.4°	60.0°
C3	C2	H21	H22	111.2°	120.0°
C2	C3	O7	C4	103.0°	120.0°
C2	C3	O7	C6	123.5°	120.1°
C2	C3	C4	C6	117.3°	120.0°
C2	C3	O7	HO7	180.0°	60.0°
C2	C3	C4	C5	31.6°	175.0°
C2	C3	C4	H41	156.9°	55.0°
C2	C3	C4	H42	93.7°	65.1°
C2	C3	C6	O5	90.9°	120.0°
C2	C3	C6	O6	87.9°	59.9°
H21	C2	C3	O7	125.6°	180.0°
H21	C2	C3	C4	0.0°	60.0°
H21	C2	C3	C6	113.9°	60.0°
H22	C2	C3	O7	16.1°	60.0°
H22	C2	C3	C4	109.5°	60.0°
H22	C2	C3	C6	136.6°	180.0°
O7	C3	C4	C6	133.2°	120.0°
O7	C3	C4	C5	77.9°	65.0°
O7	C3	C4	H41	47.3°	175.0°
O7	C3	C4	H42	156.8°	55.0°
O7	C3	C6	O5	26.7°	0.1°
O7	C3	C6	O6	154.4°	180.0°
C4	C3	O7	HO7	77.0°	60.0°
C3	C4	C5	H41	125.2°	120.1°
C3	C4	C5	H42	125.2°	120.0°
C3	C4	H41	H42	111.8°	120.0°
C3	C4	C5	O3	93.0°	0.0°
C3	C4	C5	O4	86.8°	180.0°
C4	C3	C6	O5	166.5°	120.0°
C4	C3	C6	O6	14.7°	60.0°
C6	C3	O7	HO7	56.5°	179.9°
C6	C3	C4	C5	148.8°	55.0°
C6	C3	C4	H41	85.9°	65.0°
C6	C3	C4	H42	23.6°	174.9°
C3	C6	O5	O6	178.8°	179.9°
C3	C6	O6	HO6	180.0°	180.0°
C5	C4	H41	H42	111.9°	119.9°
C4	C5	O3	O4	179.8°	180.0°
C4	C5	O4	HO4	180.0°	180.0°
H41	C4	C5	O3	32.2°	120.0°
H41	C4	C5	O4	148.0°	59.9°
H42	C4	C5	O3	141.8°	120.0°
H42	C4	C5	O4	38.4°	60.0°
O3	C5	O4	HO4	0.2°	0.0°
O5	C6	O6	HO6	1.2°	0.1°

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