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Summary Geometry Related PDB entries

BUO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C2	sing	1.51Å	1.50Å
O2	C2	doub	1.21Å	1.22Å
C2	C1	sing	1.49Å	1.47Å
O1	C1	doub	1.21Å	1.23Å
C1	C4	sing	1.51Å	1.54Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	O2	125.7°	120.0°
C3	C2	C1	117.5°	120.0°
C2	C3	H4	109.5°	109.5°
C2	C3	H5	109.5°	109.4°
C2	C3	H6	109.5°	109.5°
O2	C2	C1	116.8°	119.9°
C2	C1	O1	120.2°	119.9°
C2	C1	C4	112.0°	120.0°
O1	C1	C4	127.7°	120.0°
C1	C4	H1	109.5°	109.5°
C1	C4	H2	109.5°	109.5°
C1	C4	H3	109.5°	109.5°
H1	C4	H2	109.5°	109.5°
H1	C4	H3	109.5°	109.5°
H2	C4	H3	109.5°	109.4°
H4	C3	H5	109.4°	109.5°
H4	C3	H6	109.5°	109.5°
H5	C3	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	O2	C1	179.2°	179.9°
C3	C2	C1	O1	33.1°	0.0°
C3	C2	C1	C4	149.7°	179.7°
C2	C3	H4	H5	120.0°	120.0°
C2	C3	H4	H6	120.0°	120.1°
C2	C3	H5	H6	120.0°	120.0°
O2	C2	C1	O1	146.2°	179.9°
O2	C2	C1	C4	31.0°	0.2°
O2	C2	C3	H4	0.0°	180.0°
O2	C2	C3	H5	120.0°	60.1°
O2	C2	C3	H6	120.0°	59.9°
C2	C1	O1	C4	176.7°	179.7°
C2	C1	C4	H1	176.9°	89.7°
C2	C1	C4	H2	63.0°	30.3°
C2	C1	C4	H3	56.9°	150.2°
C1	C2	C3	H4	179.2°	0.1°
C1	C2	C3	H5	60.8°	120.0°
C1	C2	C3	H6	59.2°	120.0°
O1	C1	C4	H1	0.0°	90.0°
O1	C1	C4	H2	120.0°	150.0°
O1	C1	C4	H3	120.0°	30.0°
C1	C4	H1	H2	120.0°	120.0°
C1	C4	H1	H3	120.0°	120.0°
C1	C4	H2	H3	120.0°	120.0°
H1	C4	H2	H3	120.0°	120.0°
H4	C3	H5	H6	120.0°	120.0°

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