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Summary Geometry Related PDB entries

03H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C2	sing	1.80Å	1.80Å
O2	C1	doub	1.21Å	1.33Å
O1	C1	sing	1.34Å	1.22Å
C1	C2	sing	1.51Å	1.50Å
O1	HO1	sing	0.97Å	0.95Å
C2	C3	sing	1.53Å	1.52Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.52Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	C6	sing	1.53Å	1.52Å
C4	C5	sing	1.53Å	1.52Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C5	H5B	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C6	H6B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C2	C1	108.7°	109.5°
CL	C2	C3	112.2°	109.5°
CL	C2	H2	107.7°	109.5°
O2	C1	O1	117.9°	120.0°
O2	C1	C2	119.1°	120.0°
O1	C1	C2	118.7°	120.0°
C1	O1	HO1	109.5°	117.0°
C1	C2	C3	108.0°	109.5°
C1	C2	H2	111.9°	109.5°
C3	C2	H2	108.4°	109.4°
C2	C3	C4	112.6°	109.5°
C2	C3	H3	108.5°	109.4°
C2	C3	H3A	108.5°	109.5°
C4	C3	H3	108.4°	109.5°
C4	C3	H3A	108.5°	109.5°
C3	C4	C6	109.8°	109.4°
C3	C4	C5	112.5°	109.5°
C3	C4	H4	107.2°	109.5°
H3	C3	H3A	110.5°	109.4°
C6	C4	C5	109.6°	109.5°
C6	C4	H4	110.2°	109.5°
C4	C6	H6	109.5°	109.5°
C4	C6	H6A	109.5°	109.5°
C4	C6	H6B	109.5°	109.4°
C5	C4	H4	107.4°	109.5°
C4	C5	H5	109.5°	109.5°
C4	C5	H5A	109.5°	109.5°
C4	C5	H5B	109.4°	109.5°
H5	C5	H5A	109.4°	109.5°
H5	C5	H5B	109.5°	109.4°
H5A	C5	H5B	109.5°	109.5°
H6	C6	H6A	109.5°	109.5°
H6	C6	H6B	109.4°	109.5°
H6A	C6	H6B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C2	C1	O2	47.7°	74.7°
CL	C2	C1	O1	156.2°	104.9°
CL	C2	C1	C3	122.0°	120.0°
CL	C2	C1	H2	118.8°	120.0°
CL	C2	C3	H2	118.8°	120.0°
CL	C2	C3	C4	74.4°	65.0°
CL	C2	C3	H3	45.5°	55.1°
CL	C2	C3	H3A	165.5°	175.0°
O2	C1	O1	C2	156.4°	179.6°
O2	C1	O1	HO1	0.0°	0.4°
O2	C1	C2	C3	74.3°	45.4°
O2	C1	C2	H2	166.5°	165.3°
O1	C1	C2	C3	81.9°	135.0°
O1	C1	C2	H2	37.4°	15.1°
C2	C1	O1	HO1	156.5°	180.0°
C1	C2	C3	H2	121.4°	120.0°
C1	C2	C3	C4	165.8°	175.0°
C1	C2	C3	H3	74.2°	65.0°
C1	C2	C3	H3A	45.8°	55.0°
C2	C3	C4	H3	120.0°	120.0°
C2	C3	C4	H3A	120.0°	120.0°
C2	C3	H3	H3A	118.7°	120.0°
C2	C3	C4	C6	163.9°	65.0°
C2	C3	C4	C5	73.8°	175.0°
C2	C3	C4	H4	44.1°	54.9°
H2	C2	C3	C4	44.3°	55.0°
H2	C2	C3	H3	164.3°	175.1°
H2	C2	C3	H3A	75.7°	65.0°
C4	C3	H3	H3A	118.7°	120.0°
C3	C4	C6	C5	124.0°	120.0°
C3	C4	C6	H4	117.9°	120.0°
C3	C4	C5	H4	117.8°	120.0°
C3	C4	C5	H5	180.0°	60.0°
C3	C4	C5	H5A	60.0°	180.0°
C3	C4	C5	H5B	60.0°	60.0°
C3	C4	C6	H6	180.0°	60.0°
C3	C4	C6	H6A	60.0°	60.0°
C3	C4	C6	H6B	60.0°	180.0°
H3	C3	C4	C6	43.9°	175.0°
H3	C3	C4	C5	166.2°	55.0°
H3	C3	C4	H4	75.9°	65.0°
H3A	C3	C4	C6	76.1°	55.0°
H3A	C3	C4	C5	46.3°	65.0°
H3A	C3	C4	H4	164.1°	175.0°
C6	C4	C5	H4	119.8°	120.0°
C6	C4	C5	H5	57.5°	60.0°
C6	C4	C5	H5A	62.4°	60.0°
C6	C4	C5	H5B	177.6°	179.9°
C4	C6	H6	H6A	120.0°	120.1°
C4	C6	H6	H6B	120.0°	119.9°
C4	C6	H6A	H6B	120.0°	120.0°
C4	C5	H5	H5A	120.0°	120.0°
C4	C5	H5	H5B	120.0°	120.0°
C4	C5	H5A	H5B	120.0°	120.0°
C5	C4	C6	H6	56.0°	59.9°
C5	C4	C6	H6A	176.0°	180.0°
C5	C4	C6	H6B	64.0°	60.0°
H4	C4	C5	H5	62.2°	180.0°
H4	C4	C5	H5A	177.8°	60.0°
H4	C4	C5	H5B	57.8°	60.0°
H4	C4	C6	H6	62.1°	180.0°
H4	C4	C6	H6A	57.9°	59.9°
H4	C4	C6	H6B	178.0°	60.0°
H5	C5	H5A	H5B	120.0°	120.0°
H6	C6	H6A	H6B	120.0°	120.0°

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