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Summary Geometry Related PDB entries

5BR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR1	C1	sing	1.97Å	1.91Å
C1	C2	sing	1.53Å	1.54Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.54Å
C2	H21	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.54Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.54Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.11Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.12Å
C5	H53	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR1	C1	C2	108.1°	109.5°
BR1	C1	H11	112.7°	109.4°
BR1	C1	H12	112.7°	109.4°
C2	C1	H11	112.7°	109.5°
C2	C1	H12	112.7°	109.5°
C1	C2	C3	113.4°	109.5°
C1	C2	H21	110.8°	109.4°
C1	C2	H22	110.7°	109.4°
H11	C1	H12	97.7°	109.5°
C3	C2	H21	110.8°	109.5°
C3	C2	H22	110.8°	109.5°
C2	C3	C4	113.6°	109.5°
C2	C3	H31	110.7°	109.4°
C2	C3	H32	110.7°	109.4°
H21	C2	H22	99.6°	109.4°
C4	C3	H31	110.7°	109.5°
C4	C3	H32	110.7°	109.5°
C3	C4	C5	117.2°	109.5°
C3	C4	H41	109.4°	109.5°
C3	C4	H42	109.4°	109.5°
H31	C3	H32	99.6°	109.5°
C5	C4	H41	109.4°	109.4°
C5	C4	H42	109.4°	109.4°
C4	C5	H51	109.4°	109.6°
C4	C5	H52	117.2°	109.5°
C4	C5	H53	109.4°	109.5°
H41	C4	H42	100.7°	109.5°
H51	C5	H52	109.5°	109.4°
H51	C5	H53	100.7°	109.4°
H52	C5	H53	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR1	C1	C2	H11	125.3°	120.0°
BR1	C1	C2	H12	125.3°	120.0°
BR1	C1	H11	H12	118.7°	119.9°
BR1	C1	C2	C3	179.9°	180.0°
BR1	C1	C2	H21	54.9°	60.0°
BR1	C1	C2	H22	54.6°	60.0°
C2	C1	H11	H12	118.6°	120.0°
C1	C2	C3	H21	125.3°	120.0°
C1	C2	C3	H22	125.2°	120.0°
C1	C2	H21	H22	116.6°	119.9°
C1	C2	C3	C4	149.7°	180.0°
C1	C2	C3	H31	24.4°	60.0°
C1	C2	C3	H32	85.1°	60.0°
H11	C1	C2	C3	54.6°	60.0°
H11	C1	C2	H21	179.9°	180.0°
H11	C1	C2	H22	70.7°	60.0°
H12	C1	C2	C3	54.8°	60.0°
H12	C1	C2	H21	70.4°	60.0°
H12	C1	C2	H22	179.9°	180.0°
C3	C2	H21	H22	116.6°	120.0°
C2	C3	C4	H31	125.3°	120.0°
C2	C3	C4	H32	125.3°	120.0°
C2	C3	H31	H32	116.6°	119.9°
C2	C3	C4	C5	155.0°	180.0°
C2	C3	C4	H41	29.7°	60.0°
C2	C3	C4	H42	79.7°	60.0°
H21	C2	C3	C4	85.1°	60.0°
H21	C2	C3	H31	149.6°	180.0°
H21	C2	C3	H32	40.2°	60.0°
H22	C2	C3	C4	24.4°	60.0°
H22	C2	C3	H31	100.9°	60.0°
H22	C2	C3	H32	149.7°	180.0°
C4	C3	H31	H32	116.5°	120.0°
C3	C4	C5	H41	125.3°	120.0°
C3	C4	C5	H42	125.3°	120.0°
C3	C4	H41	H42	115.2°	120.0°
C3	C4	C5	H51	54.7°	180.0°
C3	C4	C5	H52	180.0°	60.0°
C3	C4	C5	H53	54.7°	60.0°
H31	C3	C4	C5	79.7°	60.0°
H31	C3	C4	H41	155.0°	180.0°
H31	C3	C4	H42	45.5°	60.0°
H32	C3	C4	C5	29.7°	60.0°
H32	C3	C4	H41	95.5°	60.0°
H32	C3	C4	H42	155.0°	180.0°
C5	C4	H41	H42	115.2°	120.0°
C4	C5	H51	H52	129.7°	120.1°
C4	C5	H51	H53	115.2°	120.1°
C4	C5	H52	H53	125.3°	120.0°
H41	C4	C5	H51	180.0°	60.0°
H41	C4	C5	H52	54.7°	60.0°
H41	C4	C5	H53	70.5°	180.0°
H42	C4	C5	H51	70.6°	60.0°
H42	C4	C5	H52	54.7°	180.0°
H42	C4	C5	H53	180.0°	60.0°
H51	C5	H52	H53	109.5°	119.9°

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