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Summary Geometry Related PDB entries

3AV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C03	doub	1.38Å	1.38Å	Aromatic
C	C08	sing	1.39Å	1.38Å	Aromatic
C01	C08	sing	1.51Å	1.49Å
C03	C02	sing	1.39Å	1.39Å	Aromatic
C08	C06	doub	1.37Å	1.40Å	Aromatic
C02	O01	sing	1.35Å	1.39Å
C02	C09	doub	1.41Å	1.39Å	Aromatic
C06	C09	sing	1.40Å	1.40Å	Aromatic
O01	C04	sing	1.34Å	1.36Å
C09	C05	sing	1.47Å	1.40Å
C04	O	doub	1.22Å	1.36Å
C04	C07	sing	1.41Å	1.48Å
C05	C07	doub	1.36Å	1.37Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C03	H4	sing	1.08Å	1.08Å
C05	H5	sing	1.08Å	1.08Å
C06	H6	sing	1.08Å	1.08Å
C07	H7	sing	1.08Å	1.08Å
C	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C03	C	C08	119.0°	120.7°
C	C03	C02	122.2°	119.8°
C	C03	H4	118.9°	120.1°
C03	C	H8	120.5°	119.6°
C	C08	C01	118.2°	119.8°
C	C08	C06	119.3°	120.5°
C08	C	H8	120.5°	119.7°
C01	C08	C06	122.5°	119.8°
C08	C01	H1	109.5°	109.5°
C08	C01	H2	109.4°	109.5°
C08	C01	H3	109.5°	109.5°
C03	C02	O01	116.7°	120.8°
C03	C02	C09	119.6°	119.3°
C02	C03	H4	118.9°	120.1°
C08	C06	C09	122.1°	119.7°
C08	C06	H6	119.0°	120.1°
O01	C02	C09	123.7°	119.9°
C02	O01	C04	118.8°	121.5°
C02	C09	C06	117.8°	120.0°
C02	C09	C05	119.3°	119.0°
C06	C09	C05	122.9°	121.1°
C09	C06	H6	118.9°	120.1°
O01	C04	O	118.4°	119.1°
O01	C04	C07	118.4°	121.7°
C09	C05	C07	118.3°	118.2°
C09	C05	H5	120.9°	120.9°
O	C04	C07	123.2°	119.2°
C04	C07	C05	121.6°	119.8°
C04	C07	H7	119.2°	120.1°
C07	C05	H5	120.9°	120.9°
C05	C07	H7	119.2°	120.1°
H1	C01	H2	109.4°	109.4°
H1	C01	H3	109.5°	109.4°
H2	C01	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C03	C	C08	H8	180.0°	180.0°
C03	C	C08	C01	180.0°	180.0°
C	C03	C02	H4	180.0°	180.0°
C03	C	C08	C06	0.1°	0.3°
C	C03	C02	O01	179.7°	180.0°
C	C03	C02	C09	0.7°	0.2°
C	C08	C01	C06	179.8°	179.7°
C08	C	C03	C02	0.4°	0.0°
C	C08	C06	C09	0.3°	0.3°
C	C08	C01	H1	89.9°	89.7°
C	C08	C01	H2	150.1°	30.3°
C	C08	C01	H3	30.1°	150.4°
C08	C	C03	H4	179.6°	180.0°
C	C08	C06	H6	179.7°	179.7°
C01	C08	C06	C09	179.9°	180.0°
C08	C01	H1	H2	120.0°	120.0°
C08	C01	H1	H3	120.0°	120.0°
C08	C01	H2	H3	120.0°	120.0°
C01	C08	C06	H6	0.1°	0.0°
C01	C08	C	H8	0.0°	0.0°
C03	C02	O01	C09	179.6°	179.8°
C03	C02	C09	C06	0.5°	0.2°
C03	C02	O01	C04	179.2°	179.7°
C03	C02	C09	C05	179.4°	179.7°
C02	C03	C	H8	179.6°	180.0°
C08	C06	C09	C02	0.0°	0.1°
C08	C06	C09	H6	180.0°	180.0°
C08	C06	C09	C05	179.9°	180.0°
C06	C08	C01	H1	89.9°	90.0°
C06	C08	C01	H2	30.1°	150.0°
C06	C08	C01	H3	150.1°	30.0°
C06	C08	C	H8	179.9°	179.7°
O01	C02	C09	C06	179.9°	180.0°
O01	C02	C09	C05	0.2°	0.0°
C02	O01	C04	O	179.3°	179.9°
C02	O01	C04	C07	0.5°	0.1°
O01	C02	C03	H4	0.3°	0.0°
C02	C09	C06	C05	179.9°	179.9°
C09	C02	O01	C04	0.4°	0.1°
C02	C09	C05	C07	0.1°	0.0°
C09	C02	C03	H4	179.3°	179.8°
C02	C09	C05	H5	179.9°	179.9°
C02	C09	C06	H6	180.0°	179.9°
C06	C09	C05	C07	179.9°	179.9°
C06	C09	C05	H5	0.0°	0.1°
O01	C04	O	C07	179.7°	180.0°
O01	C04	C07	C05	0.4°	0.1°
O01	C04	C07	H7	179.7°	180.0°
C09	C05	C07	C04	0.1°	0.0°
C09	C05	C07	H5	180.0°	179.9°
C05	C09	C06	H6	0.1°	0.0°
C09	C05	C07	H7	179.9°	180.0°
O	C04	C07	C05	179.4°	179.9°
O	C04	C07	H7	0.6°	0.0°
C04	C07	C05	H7	180.0°	179.9°
C04	C07	C05	H5	179.8°	180.0°
H1	C01	H2	H3	120.0°	119.9°
H4	C03	C	H8	0.4°	0.0°
H5	C05	C07	H7	0.1°	0.1°

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