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Summary Geometry Related PDB entries

RCI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C4	sing	1.80Å	1.77Å
C5	C4	sing	1.53Å	1.52Å
C4	C6	sing	1.51Å	1.52Å
C6	O2	doub	1.21Å	1.26Å
C6	O3	sing	1.34Å	1.25Å
O3	H1	sing	0.97Å	0.95Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C4	C5	113.1°	109.5°
CL1	C4	C6	111.0°	109.5°
CL1	C4	H2	106.3°	109.5°
C5	C4	C6	108.0°	109.5°
C5	C4	H2	109.2°	109.5°
C4	C5	H3	109.5°	109.5°
C4	C5	H4	109.5°	109.4°
C4	C5	H5	109.5°	109.5°
C4	C6	O2	122.5°	120.0°
C4	C6	O3	119.5°	120.0°
C6	C4	H2	109.2°	109.4°
O2	C6	O3	118.0°	120.0°
C6	O3	H1	109.5°	117.0°
H3	C5	H4	109.4°	109.5°
H3	C5	H5	109.5°	109.5°
H4	C5	H5	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C4	C5	C6	123.3°	120.0°
CL1	C4	C5	H2	118.2°	120.0°
CL1	C4	C6	H2	116.8°	120.0°
CL1	C4	C6	O2	78.2°	75.0°
CL1	C4	C6	O3	101.3°	105.0°
CL1	C4	C5	H3	180.0°	60.1°
CL1	C4	C5	H4	60.0°	179.9°
CL1	C4	C5	H5	60.0°	60.0°
C5	C4	C6	H2	118.6°	120.0°
C5	C4	C6	O2	46.3°	45.0°
C5	C4	C6	O3	134.2°	135.0°
C4	C5	H3	H4	120.0°	120.0°
C4	C5	H3	H5	120.0°	120.0°
C4	C5	H4	H5	120.0°	119.9°
C4	C6	O2	O3	179.5°	179.9°
C4	C6	O3	H1	179.5°	180.0°
C6	C4	C5	H3	56.7°	180.0°
C6	C4	C5	H4	63.2°	60.0°
C6	C4	C5	H5	176.8°	60.0°
O2	C6	O3	H1	0.0°	0.0°
O2	C6	C4	H2	164.9°	165.1°
O3	C6	C4	H2	15.6°	15.0°
H2	C4	C5	H3	61.9°	60.0°
H2	C4	C5	H4	178.2°	60.0°
H2	C4	C5	H5	58.2°	180.0°
H3	C5	H4	H5	120.0°	120.0°

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PDB entries from 2024-07-10

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