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Summary Geometry Related PDB entries

MAH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.52Å
C1	O1	sing	1.34Å	1.24Å
C1	O2	doub	1.21Å	1.25Å
C2	C3	sing	1.53Å	1.55Å
C2	H21	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.55Å
C3	C6	sing	1.53Å	1.55Å
C3	O7	sing	1.43Å	1.43Å
C4	C5	sing	1.51Å	1.51Å
C4	H41	sing	1.09Å	1.12Å
C4	H42	sing	1.09Å	1.12Å
C5	O3	doub	1.21Å	1.25Å
C5	O4	sing	1.34Å	1.24Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.12Å
C6	H63	sing	1.09Å	1.11Å
O1	HO1	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O7	HO7	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	118.7°	120.0°
C2	C1	O2	121.4°	120.0°
C1	C2	C3	119.3°	109.5°
C1	C2	H21	108.7°	109.5°
C1	C2	H22	108.7°	109.5°
O1	C1	O2	119.9°	120.0°
C1	O1	HO1	118.7°	120.0°
C3	C2	H21	108.7°	109.5°
C3	C2	H22	108.7°	109.5°
C2	C3	C4	107.5°	109.5°
C2	C3	C6	114.3°	109.5°
C2	C3	O7	110.2°	109.5°
H21	C2	H22	101.3°	109.4°
C4	C3	C6	111.3°	109.5°
C4	C3	O7	106.8°	109.5°
C3	C4	C5	116.9°	109.5°
C3	C4	H41	109.5°	109.5°
C3	C4	H42	109.6°	109.5°
C6	C3	O7	106.5°	109.5°
C3	C6	H61	114.3°	109.4°
C3	C6	H62	110.4°	109.5°
C3	C6	H63	110.4°	109.5°
C3	O7	HO7	110.3°	106.9°
C5	C4	H41	109.5°	109.5°
C5	C4	H42	109.5°	109.5°
C4	C5	O3	118.0°	120.0°
C4	C5	O4	118.5°	120.0°
H41	C4	H42	100.6°	109.4°
O3	C5	O4	123.6°	120.0°
C5	O4	HO4	118.5°	120.0°
H61	C6	H62	110.5°	109.5°
H61	C6	H63	110.4°	109.5°
H62	C6	H63	99.9°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O2	179.8°	179.9°
C1	C2	C3	H21	125.3°	120.0°
C1	C2	C3	H22	125.3°	120.0°
C1	C2	H21	H22	114.4°	120.0°
C1	C2	C3	C4	179.1°	180.0°
C1	C2	C3	C6	56.8°	60.0°
C1	C2	C3	O7	63.1°	60.0°
C2	C1	O1	HO1	180.0°	180.0°
O1	C1	C2	C3	157.2°	180.0°
O1	C1	C2	H21	32.0°	59.9°
O1	C1	C2	H22	77.5°	60.0°
O2	C1	C2	C3	22.6°	0.1°
O2	C1	C2	H21	147.8°	120.0°
O2	C1	C2	H22	102.7°	120.1°
O2	C1	O1	HO1	0.1°	0.1°
C3	C2	H21	H22	114.4°	120.0°
C2	C3	C4	C6	125.9°	120.0°
C2	C3	C4	O7	118.3°	120.0°
C2	C3	C6	O7	122.0°	120.0°
C2	C3	C4	C5	169.2°	180.0°
C2	C3	C4	H41	65.6°	59.9°
C2	C3	C4	H42	43.9°	60.0°
C2	C3	C6	H61	180.0°	60.0°
C2	C3	C6	H62	54.8°	60.0°
C2	C3	C6	H63	54.8°	180.0°
C2	C3	O7	HO7	180.0°	60.0°
H21	C2	C3	C4	53.9°	60.0°
H21	C2	C3	C6	178.0°	60.0°
H21	C2	C3	O7	62.1°	180.0°
H22	C2	C3	C4	55.6°	59.9°
H22	C2	C3	C6	68.5°	180.0°
H22	C2	C3	O7	171.6°	60.0°
C4	C3	C6	O7	116.0°	120.0°
C3	C4	C5	H41	125.3°	120.0°
C3	C4	C5	H42	125.3°	120.0°
C3	C4	H41	H42	115.4°	120.0°
C3	C4	C5	O3	90.8°	0.1°
C3	C4	C5	O4	90.0°	180.0°
C4	C3	C6	H61	58.0°	60.0°
C4	C3	C6	H62	67.2°	180.0°
C4	C3	C6	H63	176.8°	60.0°
C4	C3	O7	HO7	63.6°	60.0°
C6	C3	C4	C5	43.3°	60.0°
C6	C3	C4	H41	168.5°	180.0°
C6	C3	C4	H42	82.0°	60.0°
C3	C6	H61	H62	125.2°	120.0°
C3	C6	H61	H63	125.2°	120.0°
C3	C6	H62	H63	116.3°	120.0°
C6	C3	O7	HO7	55.5°	180.0°
O7	C3	C4	C5	72.6°	60.0°
O7	C3	C4	H41	52.7°	60.0°
O7	C3	C4	H42	162.2°	180.0°
O7	C3	C6	H61	58.0°	180.0°
O7	C3	C6	H62	176.7°	60.0°
O7	C3	C6	H63	67.2°	60.0°
C5	C4	H41	H42	115.3°	120.0°
C4	C5	O3	O4	179.2°	179.9°
C4	C5	O4	HO4	180.0°	180.0°
H41	C4	C5	O3	144.0°	120.1°
H41	C4	C5	O4	35.3°	60.0°
H42	C4	C5	O3	34.5°	120.0°
H42	C4	C5	O4	144.7°	59.9°
O3	C5	O4	HO4	0.8°	0.1°
H61	C6	H62	H63	116.3°	120.0°

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