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Summary Geometry Related PDB entries

A1BUB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C01	sing	1.51Å	1.52Å
C03	C02	doub	1.38Å	1.39Å	Aromatic
C04	C03	sing	1.39Å	1.38Å	Aromatic
C07	C06	doub	1.38Å	1.37Å	Aromatic
C06	C05	sing	1.40Å	1.39Å	Aromatic
C08	C05	sing	1.47Å	1.51Å
O09	C08	doub	1.21Å	1.25Å
O10	C08	sing	1.35Å	1.25Å
C05	C04	doub	1.40Å	1.39Å	Aromatic
O11	C04	sing	1.36Å	1.41Å
C02	C07	sing	1.39Å	1.38Å	Aromatic
C01	H013	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C03	H031	sing	1.08Å	1.08Å
C06	H061	sing	1.08Å	1.08Å
C07	H071	sing	1.08Å	1.08Å
O10	H1	sing	0.97Å	0.95Å
O11	H111	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	118.8°	119.8°
C01	C02	C07	119.2°	119.8°
C02	C01	H013	109.5°	109.5°
C02	C01	H012	109.5°	109.5°
C02	C01	H011	109.5°	109.4°
C02	C03	C04	119.4°	120.1°
C03	C02	C07	122.0°	120.4°
C02	C03	H031	120.3°	119.9°
C03	C04	C05	118.1°	119.7°
C03	C04	O11	119.9°	120.2°
C04	C03	H031	120.3°	120.0°
C07	C06	C05	119.3°	119.9°
C06	C07	C02	119.0°	120.3°
C07	C06	H061	120.3°	120.0°
C06	C07	H071	120.5°	119.9°
C06	C05	C08	117.0°	120.2°
C06	C05	C04	122.2°	119.6°
C05	C06	H061	120.3°	120.1°
C05	C08	O09	117.6°	120.0°
C05	C08	O10	120.9°	120.0°
C08	C05	C04	120.8°	120.2°
O09	C08	O10	121.4°	120.0°
C08	O10	H1	109.5°	117.0°
C05	C04	O11	122.0°	120.1°
C04	O11	H111	109.5°	114.0°
C02	C07	H071	120.5°	119.8°
H013	C01	H012	109.5°	109.5°
H013	C01	H011	109.5°	109.4°
H012	C01	H011	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	C07	180.0°	179.7°
C01	C02	C03	C04	179.9°	180.0°
C01	C02	C07	C06	179.6°	179.7°
C02	C01	H013	H012	120.0°	120.1°
C02	C01	H013	H011	120.0°	120.0°
C02	C01	H012	H011	120.0°	120.0°
C01	C02	C03	H031	0.1°	0.0°
C01	C02	C07	H071	0.5°	0.0°
C02	C03	C04	H031	180.0°	179.9°
C03	C02	C07	C06	0.5°	0.5°
C02	C03	C04	C05	0.1°	0.1°
C02	C03	C04	O11	179.4°	179.9°
C03	C02	C01	H013	90.0°	89.8°
C03	C02	C01	H012	150.0°	30.3°
C03	C02	C01	H011	30.0°	150.3°
C03	C02	C07	H071	179.5°	179.7°
C03	C04	C05	C06	0.0°	0.1°
C03	C04	C05	C08	179.5°	179.9°
C03	C04	C05	O11	179.3°	179.9°
C04	C03	C02	C07	0.2°	0.2°
C03	C04	O11	H111	180.0°	90.0°
C07	C06	C05	H061	180.0°	179.7°
C07	C06	C05	C08	179.8°	179.8°
C07	C06	C05	C04	0.3°	0.2°
C06	C07	C02	H071	180.0°	179.8°
C06	C05	C08	C04	179.6°	180.0°
C06	C05	C08	O09	3.9°	180.0°
C06	C05	C08	O10	175.4°	0.0°
C06	C05	C04	O11	179.3°	179.9°
C05	C06	C07	C02	0.5°	0.5°
C05	C06	C07	H071	179.5°	179.7°
C05	C08	O09	O10	179.3°	180.0°
C08	C05	C04	O11	0.2°	0.1°
C08	C05	C06	H061	0.2°	0.0°
C05	C08	O10	H1	179.3°	179.9°
O09	C08	C05	C04	176.5°	0.0°
O09	C08	O10	H1	0.0°	0.0°
O10	C08	C05	C04	4.2°	180.0°
C05	C04	C03	H031	179.9°	180.0°
C04	C05	C06	H061	179.7°	180.0°
C05	C04	O11	H111	0.8°	90.1°
O11	C04	C03	H031	0.6°	0.1°
C07	C02	C01	H013	90.0°	90.0°
C07	C02	C01	H012	30.0°	150.0°
C07	C02	C01	H011	150.0°	30.0°
C07	C02	C03	H031	179.8°	179.7°
C02	C07	C06	H061	179.5°	179.7°
H013	C01	H012	H011	120.0°	119.9°
H061	C06	C07	H071	0.5°	0.0°

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