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Summary Geometry Related PDB entries

ATO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.52Å
C1	H13	sing	1.09Å	1.12Å
C1	H12	sing	1.09Å	1.12Å
C1	H11	sing	1.09Å	1.11Å
C2	C3	sing	1.51Å	1.53Å
C2	O4	doub	1.21Å	1.24Å
C3	CL	sing	1.80Å	1.74Å
C3	H32	sing	1.09Å	1.11Å
C3	H31	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	H13	118.9°	109.5°
C2	C1	H12	108.8°	109.5°
C2	C1	H11	108.8°	109.5°
C1	C2	C3	118.9°	120.0°
C1	C2	O4	121.1°	120.0°
H13	C1	H12	108.8°	109.4°
H13	C1	H11	108.8°	109.4°
H12	C1	H11	101.3°	109.5°
C3	C2	O4	120.0°	120.0°
C2	C3	CL	109.8°	109.5°
C2	C3	H32	112.0°	109.5°
C2	C3	H31	112.0°	109.5°
CL	C3	H32	112.1°	109.5°
CL	C3	H31	112.1°	109.5°
H32	C3	H31	98.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	H13	H12	125.2°	120.0°
C2	C1	H13	H11	125.3°	120.0°
C2	C1	H12	H11	114.6°	120.0°
C1	C2	C3	O4	179.9°	180.0°
C1	C2	C3	CL	165.1°	180.0°
C1	C2	C3	H32	39.9°	60.0°
C1	C2	C3	H31	69.6°	60.0°
H13	C1	H12	H11	114.5°	120.0°
H13	C1	C2	C3	180.0°	180.0°
H13	C1	C2	O4	0.0°	0.0°
H12	C1	C2	C3	54.8°	60.0°
H12	C1	C2	O4	125.2°	120.0°
H11	C1	C2	C3	54.8°	60.0°
H11	C1	C2	O4	125.3°	120.0°
C2	C3	CL	H32	125.2°	120.0°
C2	C3	CL	H31	125.2°	120.0°
C2	C3	H32	H31	118.0°	120.0°
O4	C2	C3	CL	14.9°	0.0°
O4	C2	C3	H32	140.2°	120.0°
O4	C2	C3	H31	110.3°	120.0°
CL	C3	H32	H31	118.0°	120.0°

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PDB entries from 2024-07-10

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