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Summary Geometry Related PDB entries

DUG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F	C02	sing	1.35Å	1.39Å
C02	C12	doub	1.38Å	1.39Å	Aromatic
C02	C03	sing	1.39Å	1.40Å	Aromatic
C12	C11	sing	1.38Å	1.42Å	Aromatic
CL	C03	sing	1.74Å	1.79Å
C03	C05	doub	1.38Å	1.43Å	Aromatic
C11	C06	doub	1.39Å	1.40Å	Aromatic
C05	C06	sing	1.39Å	1.39Å	Aromatic
C06	O07	sing	1.36Å	1.42Å
O07	C08	sing	1.43Å	1.42Å
C08	C09	sing	1.51Å	1.53Å
C09	O10	doub	1.21Å	1.20Å
C05	H1	sing	1.08Å	1.08Å
C08	H2	sing	1.09Å	1.10Å
C08	H3	sing	1.09Å	1.10Å
C11	H5	sing	1.08Å	1.08Å
C12	H6	sing	1.08Å	1.08Å
C09	OXT	sing	1.34Å	51.96Å
OXT	HXT	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F	C02	C12	119.9°	120.0°
F	C02	C03	120.0°	119.9°
C12	C02	C03	120.1°	120.1°
C02	C12	C11	120.0°	120.1°
C02	C12	H6	120.0°	120.0°
C02	C03	CL	119.9°	120.0°
C02	C03	C05	120.0°	120.0°
C12	C11	C06	120.0°	120.0°
C12	C11	H5	120.0°	120.0°
C11	C12	H6	120.0°	120.0°
CL	C03	C05	120.2°	120.0°
C03	C05	C06	120.0°	120.0°
C03	C05	H1	120.0°	120.0°
C11	C06	C05	120.0°	119.9°
C11	C06	O07	120.0°	120.0°
C06	C11	H5	120.0°	120.0°
C05	C06	O07	120.0°	120.0°
C06	C05	H1	120.0°	120.0°
C06	O07	C08	113.6°	117.0°
O07	C08	C09	108.5°	109.5°
O07	C08	H2	109.7°	109.5°
O07	C08	H3	109.7°	109.5°
C08	C09	O10	120.0°	120.0°
C09	C08	H2	109.7°	109.4°
C09	C08	H3	109.7°	109.5°
C08	C09	OXT	122.4°	120.0°
O10	C09	OXT	115.0°	120.0°
H2	C08	H3	109.4°	109.5°
C09	OXT	HXT	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F	C02	C12	C03	180.0°	179.8°
F	C02	C12	C11	180.0°	179.8°
F	C02	C03	CL	0.0°	0.1°
F	C02	C03	C05	180.0°	180.0°
F	C02	C12	H6	0.0°	0.0°
C02	C12	C11	H6	180.0°	179.8°
C12	C02	C03	CL	180.0°	179.7°
C12	C02	C03	C05	0.0°	0.2°
C02	C12	C11	C06	0.1°	0.5°
C02	C12	C11	H5	179.9°	179.7°
C03	C02	C12	C11	0.1°	0.5°
C02	C03	CL	C05	180.0°	179.9°
C02	C03	C05	C06	0.0°	0.1°
C02	C03	C05	H1	180.0°	180.0°
C03	C02	C12	H6	179.9°	179.8°
C12	C11	C06	H5	180.0°	179.8°
C12	C11	C06	C05	0.0°	0.2°
C12	C11	C06	O07	180.0°	179.7°
CL	C03	C05	C06	179.9°	180.0°
CL	C03	C05	H1	0.1°	0.1°
C03	C05	C06	C11	0.1°	0.1°
C03	C05	C06	H1	180.0°	179.9°
C03	C05	C06	O07	180.0°	180.0°
C11	C06	C05	O07	180.0°	179.9°
C11	C06	O07	C08	89.0°	0.1°
C11	C06	C05	H1	179.9°	180.0°
C06	C11	C12	H6	180.0°	179.8°
C05	C06	O07	C08	91.0°	180.0°
C05	C06	C11	H5	180.0°	180.0°
C06	O07	C08	C09	163.8°	180.0°
O07	C06	C05	H1	0.0°	0.1°
C06	O07	C08	H2	43.9°	60.1°
C06	O07	C08	H3	76.3°	60.0°
O07	C06	C11	H5	0.1°	0.1°
O07	C08	C09	H2	119.9°	120.0°
O07	C08	C09	H3	119.9°	120.0°
O07	C08	C09	O10	153.0°	0.0°
O07	C08	H2	H3	120.4°	120.0°
O07	C08	C09	OXT	46.1°	180.0°
C08	C09	O10	OXT	162.3°	180.0°
C09	C08	H2	H3	120.4°	120.0°
C08	C09	OXT	HXT	90.0°	180.0°
O10	C09	C08	H2	33.1°	120.0°
O10	C09	C08	H3	87.2°	120.0°
O10	C09	OXT	HXT	90.0°	0.1°
H2	C08	C09	OXT	166.0°	60.0°
H3	C08	C09	OXT	73.8°	60.0°
H5	C11	C12	H6	0.1°	0.1°

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