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Summary Geometry Related PDB entries

Obsolete: DOX

DOX was replaced with DIO on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.52Å
C1	O2	sing	1.43Å	1.42Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.11Å
C2	O1	sing	1.43Å	1.42Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.12Å
O1	C3	sing	1.43Å	1.41Å
C3	C4	sing	1.53Å	1.52Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.12Å
C4	O2	sing	1.43Å	1.41Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O2	109.0°	109.7°
C2	C1	H11	112.3°	109.4°
C2	C1	H12	112.4°	109.5°
C1	C2	O1	108.7°	109.7°
C1	C2	H21	112.5°	109.4°
C1	C2	H22	112.5°	109.5°
O2	C1	H11	112.4°	109.5°
O2	C1	H12	112.4°	109.5°
C1	O2	C4	110.0°	107.0°
H11	C1	H12	98.1°	109.3°
O1	C2	H21	112.5°	109.5°
O1	C2	H22	112.5°	109.5°
C2	O1	C3	108.4°	107.0°
H21	C2	H22	97.9°	109.3°
O1	C3	C4	109.4°	109.7°
O1	C3	H31	112.2°	109.5°
O1	C3	H32	112.2°	109.5°
C4	C3	H31	112.3°	109.4°
C4	C3	H32	112.3°	109.5°
C3	C4	O2	108.6°	109.7°
C3	C4	H41	112.5°	109.5°
C3	C4	H42	112.5°	109.4°
H31	C3	H32	98.1°	109.3°
O2	C4	H41	112.6°	109.5°
O2	C4	H42	112.5°	109.5°
H41	C4	H42	97.9°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O2	H11	125.2°	120.0°
C2	C1	O2	H12	125.2°	120.1°
C2	C1	H11	H12	118.3°	119.9°
C1	C2	O1	H21	125.3°	120.0°
C1	C2	O1	H22	125.3°	120.1°
C1	C2	H21	H22	118.4°	119.9°
C1	C2	O1	C3	62.7°	61.1°
C2	C1	O2	C4	59.5°	61.1°
O2	C1	H11	H12	118.3°	119.9°
O2	C1	C2	O1	1.9°	62.8°
O2	C1	C2	H21	127.2°	57.3°
O2	C1	C2	H22	123.3°	177.1°
C1	O2	C4	C3	59.7°	61.1°
C1	O2	C4	H41	175.0°	178.7°
C1	O2	C4	H42	65.5°	58.9°
H11	C1	C2	O1	127.2°	57.3°
H11	C1	C2	H21	107.5°	177.3°
H11	C1	C2	H22	1.9°	62.9°
H11	C1	O2	C4	65.7°	58.9°
H12	C1	C2	O1	123.3°	177.1°
H12	C1	C2	H21	1.9°	62.9°
H12	C1	C2	H22	111.4°	56.9°
H12	C1	O2	C4	175.2°	178.7°
O1	C2	H21	H22	118.4°	119.9°
C2	O1	C3	C4	62.6°	61.1°
C2	O1	C3	H31	172.1°	58.9°
C2	O1	C3	H32	62.7°	178.7°
H21	C2	O1	C3	172.0°	58.9°
H22	C2	O1	C3	62.6°	178.7°
O1	C3	C4	H31	125.3°	120.1°
O1	C3	C4	H32	125.3°	120.1°
O1	C3	H31	H32	118.1°	119.9°
O1	C3	C4	O2	1.4°	62.8°
O1	C3	C4	H41	123.9°	177.1°
O1	C3	C4	H42	126.6°	57.3°
C4	C3	H31	H32	118.2°	119.9°
C3	C4	O2	H41	125.3°	120.1°
C3	C4	O2	H42	125.2°	120.0°
C3	C4	H41	H42	118.4°	119.9°
H31	C3	C4	O2	126.7°	57.3°
H31	C3	C4	H41	1.3°	62.9°
H31	C3	C4	H42	108.1°	177.3°
H32	C3	C4	O2	123.9°	177.1°
H32	C3	C4	H41	110.8°	56.9°
H32	C3	C4	H42	1.3°	62.9°
O2	C4	H41	H42	118.5°	119.9°

220113

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