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Summary Geometry Related PDB entries

TRC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.21Å	1.26Å
C1	O2	sing	1.34Å	1.25Å
C1	C2	sing	1.51Å	1.55Å
O2	HO2	sing	0.97Å	0.95Å
C2	C3	sing	1.53Å	1.58Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.12Å
C3	C4	sing	1.53Å	1.56Å
C3	C6	sing	1.51Å	1.54Å
C3	H3	sing	1.09Å	1.11Å
C4	C5	sing	1.51Å	1.56Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	O3	doub	1.21Å	1.23Å
C5	O4	sing	1.34Å	1.26Å
O4	HO4	sing	0.97Å	0.95Å
C6	O5	doub	1.21Å	1.26Å
C6	O6	sing	1.34Å	1.25Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	118.9°	120.0°
O1	C1	C2	124.3°	120.0°
O2	C1	C2	116.6°	120.0°
C1	O2	HO2	118.9°	120.0°
C1	C2	C3	115.7°	109.5°
C1	C2	H21	110.0°	109.5°
C1	C2	H22	110.0°	109.5°
C3	C2	H21	110.0°	109.5°
C3	C2	H22	110.0°	109.4°
C2	C3	C4	116.7°	109.5°
C2	C3	C6	108.5°	109.5°
C2	C3	H3	105.5°	109.5°
H21	C2	H22	100.2°	109.5°
C4	C3	C6	110.4°	109.5°
C4	C3	H3	103.3°	109.4°
C3	C4	C5	122.1°	109.5°
C3	C4	H41	107.7°	109.4°
C3	C4	H42	107.7°	109.5°
C6	C3	H3	112.4°	109.5°
C3	C6	O5	121.9°	120.0°
C3	C6	O6	116.9°	120.1°
C5	C4	H41	107.7°	109.4°
C5	C4	H42	107.7°	109.5°
C4	C5	O3	117.9°	120.0°
C4	C5	O4	123.9°	120.0°
H41	C4	H42	102.1°	109.4°
O3	C5	O4	118.1°	119.9°
C5	O4	HO4	123.9°	120.0°
O5	C6	O6	121.0°	120.0°
C6	O6	HO6	116.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	175.0°	179.9°
O1	C1	O2	HO2	180.0°	0.1°
O1	C1	C2	C3	30.5°	0.1°
O1	C1	C2	H21	94.8°	119.9°
O1	C1	C2	H22	155.8°	120.1°
O2	C1	C2	C3	144.1°	180.0°
O2	C1	C2	H21	90.6°	59.9°
O2	C1	C2	H22	18.9°	60.1°
C2	C1	O2	HO2	5.0°	179.9°
C1	C2	C3	H21	125.3°	120.0°
C1	C2	C3	H22	125.3°	120.0°
C1	C2	H21	H22	115.8°	120.0°
C1	C2	C3	C4	168.5°	180.0°
C1	C2	C3	C6	43.1°	60.0°
C1	C2	C3	H3	77.5°	60.1°
C3	C2	H21	H22	115.8°	120.0°
C2	C3	C4	C6	124.5°	120.1°
C2	C3	C4	H3	115.2°	120.0°
C2	C3	C6	H3	116.2°	120.0°
C2	C3	C4	C5	53.1°	65.3°
C2	C3	C4	H41	178.4°	54.7°
C2	C3	C4	H42	72.1°	174.7°
C2	C3	C6	O5	34.7°	29.3°
C2	C3	C6	O6	141.5°	150.6°
H21	C2	C3	C4	66.2°	60.0°
H21	C2	C3	C6	168.4°	180.0°
H21	C2	C3	H3	47.7°	60.0°
H22	C2	C3	C4	43.2°	60.0°
H22	C2	C3	C6	82.2°	60.0°
H22	C2	C3	H3	157.2°	179.9°
C4	C3	C6	H3	114.8°	119.9°
C3	C4	C5	H41	125.3°	120.0°
C3	C4	C5	H42	125.3°	120.1°
C3	C4	H41	H42	113.3°	120.0°
C3	C4	C5	O3	94.2°	5.8°
C3	C4	C5	O4	89.3°	174.2°
C4	C3	C6	O5	94.3°	90.7°
C4	C3	C6	O6	89.5°	89.4°
C6	C3	C4	C5	71.4°	174.7°
C6	C3	C4	H41	53.9°	65.4°
C6	C3	C4	H42	163.4°	54.6°
C3	C6	O5	O6	176.1°	179.9°
C3	C6	O6	HO6	180.0°	180.0°
H3	C3	C4	C5	168.3°	54.7°
H3	C3	C4	H41	66.5°	174.7°
H3	C3	C4	H42	43.0°	65.4°
H3	C3	C6	O5	151.0°	149.4°
H3	C3	C6	O6	25.3°	30.6°
C5	C4	H41	H42	113.2°	120.0°
C4	C5	O3	O4	176.8°	180.0°
C4	C5	O4	HO4	180.0°	180.0°
H41	C4	C5	O3	31.1°	125.7°
H41	C4	C5	O4	145.5°	54.2°
H42	C4	C5	O3	140.5°	114.3°
H42	C4	C5	O4	36.0°	65.7°
O3	C5	O4	HO4	3.4°	0.0°
O5	C6	O6	HO6	3.8°	0.1°

222415

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