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Summary Geometry Related PDB entries

COI

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	1.35Å	1.25Å
C1	C2	sing	1.49Å	1.41Å
O2	HO2	sing	0.97Å	0.95Å
C2	O3	doub	1.21Å	1.24Å
C2	C3	sing	1.51Å	1.53Å
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	C6	sing	1.53Å	1.50Å
C4	H4	sing	1.09Å	1.10Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C5	H53	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	H63	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	120.0°	120.0°
O1	C1	C2	121.7°	120.0°
O2	C1	C2	118.3°	120.0°
C1	O2	HO2	109.5°	117.0°
C1	C2	O3	120.3°	120.0°
C1	C2	C3	120.5°	120.0°
O3	C2	C3	119.2°	120.0°
C2	C3	C4	113.0°	109.5°
C2	C3	H31	108.6°	109.5°
C2	C3	H32	108.6°	109.5°
C4	C3	H31	108.6°	109.4°
C4	C3	H32	108.6°	109.5°
C3	C4	C5	111.1°	109.5°
C3	C4	C6	109.4°	109.4°
C3	C4	H4	108.8°	109.4°
H31	C3	H32	109.5°	109.5°
C5	C4	C6	109.3°	109.5°
C5	C4	H4	109.0°	109.5°
C4	C5	H51	109.5°	109.5°
C4	C5	H52	109.5°	109.4°
C4	C5	H53	109.4°	109.5°
C6	C4	H4	109.3°	109.5°
C4	C6	H61	109.5°	109.4°
C4	C6	H62	109.4°	109.5°
C4	C6	H63	109.4°	109.5°
H51	C5	H52	109.5°	109.5°
H51	C5	H53	109.5°	109.5°
H52	C5	H53	109.5°	109.4°
H61	C6	H62	109.5°	109.5°
H61	C6	H63	109.5°	109.4°
H62	C6	H63	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	178.7°	179.7°
O1	C1	O2	HO2	0.0°	0.0°
O1	C1	C2	O3	67.2°	180.0°
O1	C1	C2	C3	114.3°	0.0°
O2	C1	C2	O3	114.2°	0.2°
O2	C1	C2	C3	64.4°	179.7°
C2	C1	O2	HO2	178.7°	179.7°
C1	C2	O3	C3	178.6°	180.0°
C1	C2	C3	C4	40.4°	180.0°
C1	C2	C3	H31	160.9°	60.0°
C1	C2	C3	H32	80.1°	60.0°
O3	C2	C3	C4	141.0°	0.0°
O3	C2	C3	H31	20.5°	120.0°
O3	C2	C3	H32	98.5°	120.1°
C2	C3	C4	H31	120.5°	120.0°
C2	C3	C4	H32	120.5°	120.0°
C2	C3	H31	H32	118.4°	120.0°
C2	C3	C4	C5	67.0°	175.0°
C2	C3	C4	C6	172.3°	65.0°
C2	C3	C4	H4	53.1°	54.9°
C4	C3	H31	H32	118.4°	120.0°
C3	C4	C5	C6	120.8°	120.0°
C3	C4	C5	H4	119.9°	120.0°
C3	C4	C6	H4	119.0°	119.9°
C3	C4	C5	H51	180.0°	60.0°
C3	C4	C5	H52	60.0°	180.0°
C3	C4	C5	H53	60.0°	60.1°
C3	C4	C6	H61	180.0°	179.9°
C3	C4	C6	H62	60.0°	60.1°
C3	C4	C6	H63	60.0°	60.0°
H31	C3	C4	C5	53.5°	55.0°
H31	C3	C4	C6	67.2°	175.0°
H31	C3	C4	H4	173.6°	65.1°
H32	C3	C4	C5	172.5°	65.0°
H32	C3	C4	C6	51.8°	55.1°
H32	C3	C4	H4	67.4°	175.0°
C5	C4	C6	H4	119.2°	120.1°
C4	C5	H51	H52	120.0°	120.0°
C4	C5	H51	H53	120.0°	120.1°
C4	C5	H52	H53	120.0°	120.0°
C5	C4	C6	H61	58.2°	60.0°
C5	C4	C6	H62	61.8°	60.0°
C5	C4	C6	H63	178.2°	180.0°
C6	C4	C5	H51	59.2°	59.9°
C6	C4	C5	H52	179.3°	60.0°
C6	C4	C5	H53	60.8°	180.0°
C4	C6	H61	H62	120.0°	120.0°
C4	C6	H61	H63	120.0°	120.0°
C4	C6	H62	H63	120.0°	120.1°
H4	C4	C5	H51	60.1°	180.0°
H4	C4	C5	H52	59.9°	60.0°
H4	C4	C5	H53	179.9°	59.9°
H4	C4	C6	H61	61.0°	60.1°
H4	C4	C6	H62	178.9°	179.9°
H4	C4	C6	H63	59.0°	59.9°
H51	C5	H52	H53	120.0°	120.0°
H61	C6	H62	H63	120.0°	120.0°

248335

PDB entries from 2026-01-28

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