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Summary Geometry Related PDB entries

M2M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.44Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.12Å
C1	H13	sing	1.09Å	1.11Å
O1	C2	sing	1.43Å	1.43Å
C2	C3	sing	1.53Å	1.50Å
C2	H21	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.12Å
C3	O2	sing	1.43Å	1.42Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.12Å
O2	C4	sing	1.43Å	1.38Å
C4	C5	sing	1.53Å	1.47Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	O3	sing	1.43Å	1.37Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.11Å
O3	C6	sing	1.43Å	1.43Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C6	H63	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	H11	110.8°	109.5°
O1	C1	H12	111.7°	109.4°
O1	C1	H13	111.8°	109.4°
C1	O1	C2	110.8°	106.8°
H11	C1	H12	111.7°	109.5°
H11	C1	H13	111.7°	109.5°
H12	C1	H13	98.6°	109.5°
O1	C2	C3	106.4°	109.5°
O1	C2	H21	113.4°	109.5°
O1	C2	H22	113.4°	109.4°
C3	C2	H21	113.4°	109.4°
C3	C2	H22	113.4°	109.5°
C2	C3	O2	107.6°	109.5°
C2	C3	H31	112.9°	109.5°
C2	C3	H32	112.9°	109.5°
H21	C2	H22	97.1°	109.5°
O2	C3	H31	112.9°	109.5°
O2	C3	H32	112.9°	109.5°
C3	O2	C4	109.3°	106.8°
H31	C3	H32	97.6°	109.4°
O2	C4	C5	105.2°	109.5°
O2	C4	H41	113.8°	109.5°
O2	C4	H42	113.8°	109.4°
C5	C4	H41	113.9°	109.5°
C5	C4	H42	113.8°	109.5°
C4	C5	O3	107.2°	109.5°
C4	C5	H51	113.1°	109.5°
C4	C5	H52	113.1°	109.4°
H41	C4	H42	96.7°	109.5°
O3	C5	H51	113.1°	109.4°
O3	C5	H52	113.0°	109.5°
C5	O3	C6	108.6°	106.8°
H51	C5	H52	97.4°	109.5°
O3	C6	H61	108.6°	109.5°
O3	C6	H62	112.5°	109.4°
O3	C6	H63	112.5°	109.4°
H61	C6	H62	112.5°	109.5°
H61	C6	H63	112.6°	109.4°
H62	C6	H63	97.9°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	H11	H12	125.3°	120.0°
O1	C1	H11	H13	125.3°	119.9°
O1	C1	H12	H13	117.6°	119.9°
C1	O1	C2	C3	179.2°	180.0°
C1	O1	C2	H21	53.9°	60.0°
C1	O1	C2	H22	55.5°	60.0°
H11	C1	H12	H13	117.6°	120.1°
H11	C1	O1	C2	180.0°	180.0°
H12	C1	O1	C2	54.7°	60.0°
H13	C1	O1	C2	54.7°	60.0°
O1	C2	C3	H21	125.3°	120.0°
O1	C2	C3	H22	125.3°	119.9°
O1	C2	H21	H22	119.3°	120.0°
O1	C2	C3	O2	59.9°	60.0°
O1	C2	C3	H31	65.4°	180.0°
O1	C2	C3	H32	174.9°	60.0°
C3	C2	H21	H22	119.3°	120.0°
C2	C3	O2	H31	125.3°	120.0°
C2	C3	O2	H32	125.2°	120.0°
C2	C3	H31	H32	118.8°	120.0°
C2	C3	O2	C4	177.9°	180.0°
H21	C2	C3	O2	174.8°	60.0°
H21	C2	C3	H31	59.9°	60.0°
H21	C2	C3	H32	49.6°	180.0°
H22	C2	C3	O2	65.4°	180.0°
H22	C2	C3	H31	169.3°	60.0°
H22	C2	C3	H32	59.8°	60.0°
O2	C3	H31	H32	118.9°	120.0°
C3	O2	C4	C5	179.5°	180.0°
C3	O2	C4	H41	54.2°	60.0°
C3	O2	C4	H42	55.3°	60.0°
H31	C3	O2	C4	52.7°	60.0°
H32	C3	O2	C4	56.9°	60.0°
O2	C4	C5	H41	125.3°	120.0°
O2	C4	C5	H42	125.2°	120.0°
O2	C4	H41	H42	119.7°	120.0°
O2	C4	C5	O3	60.8°	60.0°
O2	C4	C5	H51	64.5°	180.0°
O2	C4	C5	H52	174.0°	60.0°
C5	C4	H41	H42	119.8°	120.0°
C4	C5	O3	H51	125.3°	120.0°
C4	C5	O3	H52	125.3°	120.0°
C4	C5	H51	H52	119.0°	120.0°
C4	C5	O3	C6	177.9°	180.0°
H41	C4	C5	O3	174.0°	60.0°
H41	C4	C5	H51	60.8°	60.0°
H41	C4	C5	H52	48.8°	180.0°
H42	C4	C5	O3	64.4°	180.0°
H42	C4	C5	H51	170.3°	60.1°
H42	C4	C5	H52	60.8°	60.0°
O3	C5	H51	H52	118.9°	120.1°
C5	O3	C6	H61	179.9°	180.0°
C5	O3	C6	H62	54.8°	60.1°
C5	O3	C6	H63	54.8°	60.0°
H51	C5	O3	C6	52.7°	60.0°
H52	C5	O3	C6	56.8°	60.0°
O3	C6	H61	H62	125.2°	119.9°
O3	C6	H61	H63	125.3°	119.9°
O3	C6	H62	H63	118.5°	120.0°
H61	C6	H62	H63	118.5°	120.1°

222415

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