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Summary Geometry Related PDB entries

PY0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C2	sing	1.53Å	1.54Å
C2	O3	sing	1.43Å	1.41Å
C2	C1	sing	1.53Å	1.49Å
C1	O1	sing	1.43Å	1.37Å
C1	O2	sing	1.43Å	1.34Å
C1	N	sing	1.47Å	1.44Å
C3	H31C	sing	1.09Å	1.10Å
C3	H32C	sing	1.09Å	1.10Å
C3	H33C	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O3	H3	sing	0.97Å	0.95Å
O1	H1	sing	0.97Å	0.95Å
N	HN1	sing	1.01Å	1.00Å
N	HN2	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	O3	108.9°	109.5°
C3	C2	C1	108.2°	109.5°
C2	C3	H31C	109.5°	109.5°
C2	C3	H32C	109.5°	109.5°
C2	C3	H33C	109.5°	109.5°
C3	C2	H2	107.9°	109.5°
O3	C2	C1	99.2°	109.5°
O3	C2	H2	115.8°	109.5°
C2	O3	H3	109.5°	114.0°
C2	C1	O1	104.2°	109.5°
C2	C1	O2	109.3°	109.5°
C2	C1	N	115.4°	109.5°
C1	C2	H2	116.5°	109.5°
O1	C1	O2	114.4°	109.5°
O1	C1	N	108.8°	109.5°
C1	O1	H1	109.5°	114.0°
O2	C1	N	105.1°	109.4°
C1	N	HN1	109.5°	111.0°
C1	N	HN2	109.5°	111.0°
H31C	C3	H32C	109.4°	109.5°
H31C	C3	H33C	109.5°	109.5°
H32C	C3	H33C	109.5°	109.5°
HN1	N	HN2	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	O3	C1	112.9°	120.0°
C3	C2	O3	H2	121.7°	120.0°
C3	C2	C1	H2	121.6°	120.0°
C3	C2	C1	O1	26.6°	60.0°
C3	C2	C1	O2	149.3°	60.0°
C3	C2	C1	N	92.6°	180.0°
C2	C3	H31C	H32C	120.0°	120.0°
C2	C3	H31C	H33C	120.0°	120.0°
C2	C3	H32C	H33C	120.0°	120.0°
C3	C2	O3	H3	36.4°	59.9°
O3	C2	C1	H2	124.9°	120.0°
O3	C2	C1	O1	86.9°	180.0°
O3	C2	C1	O2	35.8°	60.0°
O3	C2	C1	N	153.9°	60.0°
O3	C2	C3	H31C	115.6°	60.0°
O3	C2	C3	H32C	124.4°	180.0°
O3	C2	C3	H33C	4.4°	60.0°
C2	C1	O1	O2	119.3°	120.0°
C2	C1	O1	N	123.6°	120.0°
C2	C1	O2	N	124.4°	120.0°
C1	C2	C3	H31C	8.8°	60.0°
C1	C2	C3	H32C	128.8°	60.0°
C1	C2	C3	H33C	111.3°	180.0°
C1	C2	O3	H3	76.5°	60.0°
C2	C1	O1	H1	89.1°	60.0°
C2	C1	N	HN1	76.7°	56.1°
C2	C1	N	HN2	43.3°	180.0°
O1	C1	O2	N	119.3°	120.0°
O1	C1	C2	H2	148.2°	60.0°
O1	C1	N	HN1	166.7°	64.0°
O1	C1	N	HN2	73.3°	60.0°
O2	C1	C2	H2	89.1°	180.0°
O2	C1	O1	H1	151.6°	180.0°
O2	C1	N	HN1	43.8°	176.0°
O2	C1	N	HN2	163.8°	60.0°
N	C1	C2	H2	29.0°	60.0°
N	C1	O1	H1	34.4°	60.0°
C1	N	HN1	HN2	120.0°	124.0°
H31C	C3	H32C	H33C	120.0°	120.0°
H31C	C3	C2	H2	118.0°	180.0°
H32C	C3	C2	H2	2.0°	60.0°
H33C	C3	C2	H2	122.0°	60.0°
H2	C2	O3	H3	158.2°	180.0°

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