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Summary Geometry Related PDB entries

F52

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C08	sing	1.74Å	1.74Å
CL2	C10	sing	1.74Å	1.73Å
C08	C10	doub	1.38Å	1.39Å	Aromatic
C08	C07	sing	1.38Å	1.38Å	Aromatic
C10	C12	sing	1.38Å	1.40Å	Aromatic
O03	C02	doub	1.21Å	1.24Å
C07	C06	doub	1.39Å	1.38Å	Aromatic
O01	C02	sing	1.34Å	1.30Å
C02	C04	sing	1.51Å	1.50Å
C12	C13	doub	1.38Å	1.40Å	Aromatic
C06	C13	sing	1.39Å	1.39Å	Aromatic
C06	O05	sing	1.36Å	1.38Å
C13	CL3	sing	1.74Å	1.73Å
C04	O05	sing	1.43Å	1.42Å
O01	H1	sing	0.97Å	0.95Å
C04	H2	sing	1.09Å	1.10Å
C04	H3	sing	1.09Å	1.10Å
C07	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C08	C10	120.8°	120.0°
CL1	C08	C07	118.7°	120.0°
CL2	C10	C08	121.1°	119.9°
CL2	C10	C12	119.0°	120.0°
C10	C08	C07	120.5°	120.0°
C08	C10	C12	119.8°	120.1°
C08	C07	C06	120.6°	120.0°
C08	C07	H4	119.7°	120.0°
C10	C12	C13	118.6°	120.0°
C10	C12	H5	120.7°	120.0°
O03	C02	O01	122.9°	120.0°
O03	C02	C04	120.6°	120.0°
C07	C06	C13	119.2°	119.9°
C07	C06	O05	123.6°	120.0°
C06	C07	H4	119.7°	120.0°
O01	C02	C04	116.6°	120.0°
C02	O01	H1	109.5°	117.0°
C02	C04	O05	111.0°	109.5°
C02	C04	H2	109.1°	109.5°
C02	C04	H3	109.1°	109.5°
C12	C13	C06	121.2°	120.0°
C12	C13	CL3	119.1°	120.0°
C13	C12	H5	120.7°	120.0°
C13	C06	O05	117.2°	120.1°
C06	C13	CL3	119.7°	120.0°
C06	O05	C04	117.1°	117.0°
O05	C04	H2	109.1°	109.4°
O05	C04	H3	109.1°	109.5°
H2	C04	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C08	C10	CL2	0.1°	0.0°
CL1	C08	C10	C07	180.0°	179.9°
CL1	C08	C10	C12	180.0°	179.9°
CL1	C08	C07	C06	180.0°	179.9°
CL1	C08	C07	H4	0.0°	0.1°
CL2	C10	C08	C12	179.9°	179.9°
CL2	C10	C08	C07	179.9°	179.9°
CL2	C10	C12	C13	180.0°	179.9°
CL2	C10	C12	H5	0.0°	0.0°
C10	C08	C07	C06	0.0°	0.0°
C08	C10	C12	C13	0.1°	0.0°
C10	C08	C07	H4	180.0°	180.0°
C08	C10	C12	H5	179.9°	180.0°
C07	C08	C10	C12	0.0°	0.0°
C08	C07	C06	H4	180.0°	180.0°
C08	C07	C06	C13	0.0°	0.0°
C08	C07	C06	O05	180.0°	179.8°
C10	C12	C13	H5	180.0°	180.0°
C10	C12	C13	C06	0.1°	0.0°
C10	C12	C13	CL3	180.0°	179.8°
O03	C02	O01	C04	180.0°	180.0°
O03	C02	C04	O05	72.9°	0.0°
O03	C02	O01	H1	0.0°	0.0°
O03	C02	C04	H2	166.9°	120.0°
O03	C02	C04	H3	47.4°	120.0°
C07	C06	C13	C12	0.0°	0.0°
C07	C06	C13	O05	180.0°	179.8°
C07	C06	C13	CL3	180.0°	179.8°
C07	C06	O05	C04	81.3°	0.2°
O01	C02	C04	O05	107.2°	180.0°
O01	C02	C04	H2	13.1°	60.0°
O01	C02	C04	H3	132.6°	60.0°
C02	C04	O05	C06	55.4°	180.0°
C02	C04	O05	H2	120.2°	120.0°
C02	C04	O05	H3	120.3°	120.0°
C04	C02	O01	H1	180.0°	180.0°
C02	C04	H2	H3	119.3°	120.0°
C12	C13	C06	CL3	179.9°	179.8°
C12	C13	C06	O05	180.0°	179.8°
C13	C06	O05	C04	98.7°	180.0°
C13	C06	C07	H4	180.0°	180.0°
C06	C13	C12	H5	179.9°	180.0°
O05	C06	C13	CL3	0.1°	0.0°
C06	O05	C04	H2	175.7°	60.0°
C06	O05	C04	H3	64.8°	60.0°
O05	C06	C07	H4	0.0°	0.3°
CL3	C13	C12	H5	0.0°	0.2°
O05	C04	H2	H3	119.3°	120.0°

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