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Summary Geometry Related PDB entries

PYE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.54Å
C1	O5	sing	1.42Å	1.44Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.53Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.12Å
C3	C4	sing	1.53Å	1.53Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.54Å
C4	H41	sing	1.09Å	1.12Å
C4	H42	sing	1.09Å	1.12Å
C5	O5	sing	1.43Å	1.45Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O5	110.2°	109.8°
C2	C1	H11	112.0°	109.4°
C2	C1	H12	112.0°	109.4°
C1	C2	C3	110.6°	109.0°
C1	C2	H21	111.8°	109.5°
C1	C2	H22	111.8°	109.6°
O5	C1	H11	111.9°	109.4°
O5	C1	H12	111.9°	109.4°
C1	O5	C5	112.5°	107.7°
H11	C1	H12	98.5°	109.3°
C3	C2	H21	111.8°	109.5°
C3	C2	H22	111.8°	109.6°
C2	C3	C4	110.7°	108.7°
C2	C3	H31	111.8°	109.6°
C2	C3	H32	111.8°	109.6°
H21	C2	H22	98.7°	109.6°
C4	C3	H31	111.7°	109.6°
C4	C3	H32	111.7°	109.6°
C3	C4	C5	110.6°	109.0°
C3	C4	H41	111.8°	109.6°
C3	C4	H42	111.8°	109.6°
H31	C3	H32	98.6°	109.7°
C5	C4	H41	111.7°	109.6°
C5	C4	H42	111.7°	109.5°
C4	C5	O5	110.6°	109.8°
C4	C5	H51	111.8°	109.5°
C4	C5	H52	111.8°	109.4°
H41	C4	H42	98.6°	109.6°
O5	C5	H51	111.8°	109.4°
O5	C5	H52	111.8°	109.4°
H51	C5	H52	98.6°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	H11	125.3°	120.2°
C2	C1	O5	H12	125.3°	120.1°
C2	C1	H11	H12	117.9°	119.8°
C1	C2	C3	H21	125.3°	119.8°
C1	C2	C3	H22	125.2°	119.9°
C1	C2	H21	H22	117.7°	120.2°
C1	C2	C3	C4	52.0°	53.7°
C1	C2	C3	H31	73.2°	66.0°
C1	C2	C3	H32	177.3°	173.5°
C2	C1	O5	C5	61.7°	67.5°
O5	C1	H11	H12	117.8°	119.8°
O5	C1	C2	C3	56.5°	61.2°
O5	C1	C2	H21	178.2°	58.6°
O5	C1	C2	H22	68.7°	178.9°
C1	O5	C5	C4	61.0°	67.5°
C1	O5	C5	H51	64.3°	172.3°
C1	O5	C5	H52	173.8°	52.6°
H11	C1	C2	C3	178.3°	178.6°
H11	C1	C2	H21	53.0°	61.5°
H11	C1	C2	H22	56.5°	58.7°
H11	C1	O5	C5	173.1°	172.3°
H12	C1	C2	C3	68.7°	58.9°
H12	C1	C2	H21	56.5°	178.7°
H12	C1	C2	H22	166.1°	61.1°
H12	C1	O5	C5	63.6°	52.6°
C3	C2	H21	H22	117.7°	120.3°
C2	C3	C4	H31	125.3°	119.7°
C2	C3	C4	H32	125.3°	119.8°
C2	C3	H31	H32	117.7°	120.4°
C2	C3	C4	C5	51.3°	53.7°
C2	C3	C4	H41	176.5°	173.6°
C2	C3	C4	H42	74.0°	66.1°
H21	C2	C3	C4	177.3°	66.1°
H21	C2	C3	H31	52.1°	174.1°
H21	C2	C3	H32	57.5°	53.6°
H22	C2	C3	C4	73.2°	173.6°
H22	C2	C3	H31	161.6°	53.9°
H22	C2	C3	H32	52.1°	66.6°
C4	C3	H31	H32	117.6°	120.4°
C3	C4	C5	H41	125.3°	119.9°
C3	C4	C5	H42	125.3°	119.9°
C3	C4	H41	H42	117.7°	120.2°
C3	C4	C5	O5	54.9°	61.2°
C3	C4	C5	H51	70.4°	178.6°
C3	C4	C5	H52	179.9°	58.9°
H31	C3	C4	C5	74.0°	66.0°
H31	C3	C4	H41	51.3°	53.9°
H31	C3	C4	H42	160.7°	174.1°
H32	C3	C4	C5	176.6°	173.5°
H32	C3	C4	H41	58.2°	66.6°
H32	C3	C4	H42	51.3°	53.7°
C5	C4	H41	H42	117.6°	120.2°
C4	C5	O5	H51	125.3°	120.2°
C4	C5	O5	H52	125.2°	120.1°
C4	C5	H51	H52	117.7°	119.8°
H41	C4	C5	O5	179.8°	178.9°
H41	C4	C5	H51	54.9°	58.7°
H41	C4	C5	H52	54.5°	61.0°
H42	C4	C5	O5	70.4°	58.7°
H42	C4	C5	H51	164.3°	61.5°
H42	C4	C5	H52	54.8°	178.7°
O5	C5	H51	H52	117.7°	119.8°

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