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Summary Geometry Related PDB entries

CXO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C2	doub	1.21Å	1.24Å
C2	C3	sing	1.52Å	1.54Å
C2	C1	sing	1.50Å	1.39Å
C3	C4	sing	1.53Å	1.53Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.52Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.52Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C6	C1	sing	1.51Å	1.37Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C1	O1	doub	1.21Å	1.34Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C2	C3	116.6°	121.7°
O2	C2	C1	123.5°	121.7°
C3	C2	C1	119.6°	116.6°
C2	C3	C4	112.7°	108.3°
C2	C3	H31	108.4°	109.7°
C2	C3	H32	107.7°	109.7°
C2	C1	C6	121.3°	116.9°
C2	C1	O1	121.7°	121.7°
C4	C3	H31	108.4°	109.7°
C4	C3	H32	107.7°	109.7°
C3	C4	C5	113.4°	109.9°
C3	C4	H41	108.2°	109.4°
C3	C4	H42	107.3°	109.4°
H31	C3	H32	112.0°	109.7°
C5	C4	H41	108.2°	109.4°
C5	C4	H42	107.3°	109.5°
C4	C5	C6	109.4°	109.8°
C4	C5	H51	109.5°	109.4°
C4	C5	H52	109.5°	109.4°
H41	C4	H42	112.6°	109.3°
C6	C5	H51	109.5°	109.4°
C6	C5	H52	109.5°	109.4°
C5	C6	C1	124.5°	108.4°
C5	C6	H61	104.8°	109.7°
C5	C6	H62	101.2°	109.7°
H51	C5	H52	109.5°	109.4°
C1	C6	H61	104.7°	109.8°
C1	C6	H62	101.3°	109.5°
C6	C1	O1	116.9°	121.5°
H61	C6	H62	122.2°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C2	C3	C1	173.7°	179.7°
O2	C2	C3	C4	165.1°	133.8°
O2	C2	C3	H31	45.1°	106.5°
O2	C2	C3	H32	76.3°	14.0°
O2	C2	C1	C6	168.7°	137.7°
O2	C2	C1	O1	7.1°	42.4°
C2	C3	C4	H31	120.0°	119.7°
C2	C3	C4	H32	118.6°	119.7°
C2	C3	H31	H32	118.7°	120.6°
C2	C3	C4	C5	47.5°	58.1°
C2	C3	C4	H41	72.5°	178.2°
C2	C3	C4	H42	165.8°	62.1°
C3	C2	C1	C6	4.6°	42.0°
C3	C2	C1	O1	179.7°	137.9°
C1	C2	C3	C4	21.2°	45.9°
C1	C2	C3	H31	141.2°	73.8°
C1	C2	C3	H32	97.4°	165.7°
C2	C1	C6	C5	3.9°	45.9°
C2	C1	C6	O1	175.9°	179.9°
C2	C1	C6	H61	123.9°	165.7°
C2	C1	C6	H62	108.2°	73.8°
C4	C3	H31	H32	118.7°	120.6°
C3	C4	C5	H41	120.0°	120.1°
C3	C4	C5	H42	118.3°	120.2°
C3	C4	H41	H42	118.4°	119.8°
C3	C4	C5	C6	46.8°	67.0°
C3	C4	C5	H51	166.8°	53.1°
C3	C4	C5	H52	73.2°	172.9°
H31	C3	C4	C5	167.5°	61.6°
H31	C3	C4	H41	47.5°	58.5°
H31	C3	C4	H42	74.2°	178.2°
H32	C3	C4	C5	71.1°	177.8°
H32	C3	C4	H41	168.9°	62.1°
H32	C3	C4	H42	47.2°	57.6°
C5	C4	H41	H42	118.4°	119.8°
C4	C5	C6	H51	120.0°	120.1°
C4	C5	C6	H52	120.0°	120.1°
C4	C5	H51	H52	120.0°	119.8°
C4	C5	C6	C1	22.2°	57.9°
C4	C5	C6	H61	97.8°	177.8°
C4	C5	C6	H62	134.4°	61.7°
H41	C4	C5	C6	73.2°	172.9°
H41	C4	C5	H51	46.8°	67.0°
H41	C4	C5	H52	166.8°	52.8°
H42	C4	C5	C6	165.1°	53.2°
H42	C4	C5	H51	75.0°	173.3°
H42	C4	C5	H52	45.0°	66.9°
C6	C5	H51	H52	120.0°	119.8°
C5	C6	C1	H61	120.0°	119.8°
C5	C6	C1	H62	112.2°	119.7°
C5	C6	H61	H62	113.8°	120.6°
C5	C6	C1	O1	179.9°	134.0°
H51	C5	C6	C1	142.2°	62.2°
H51	C5	C6	H61	22.2°	57.7°
H51	C5	C6	H62	105.7°	178.2°
H52	C5	C6	C1	97.8°	177.9°
H52	C5	C6	H61	142.2°	62.1°
H52	C5	C6	H62	14.4°	58.4°
C1	C6	H61	H62	113.8°	120.4°
H61	C6	C1	O1	60.1°	14.2°
H62	C6	C1	O1	67.7°	106.3°

247947

PDB entries from 2026-01-21

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