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Summary Geometry Related PDB entries

A1LXW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.51Å	1.51Å
C02	C07	doub	1.38Å	1.38Å	Aromatic
C02	C03	sing	1.39Å	1.39Å	Aromatic
C07	C06	sing	1.40Å	1.38Å	Aromatic
O11	C03	sing	1.36Å	1.41Å
C03	C04	doub	1.39Å	1.39Å	Aromatic
C06	C08	sing	1.47Å	1.51Å
C06	C05	doub	1.40Å	1.39Å	Aromatic
O10	C08	doub	1.21Å	1.26Å
C08	O09	sing	1.35Å	1.26Å
C04	C05	sing	1.38Å	1.39Å	Aromatic
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C04	H4	sing	1.08Å	1.08Å
C05	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.08Å	1.08Å
O09	H7	sing	0.97Å	0.95Å
O11	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C07	118.8°	119.9°
C01	C02	C03	121.1°	119.9°
C02	C01	H1	109.5°	109.5°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.4°	109.5°
C07	C02	C03	120.0°	120.1°
C02	C07	C06	120.1°	119.9°
C02	C07	H6	120.0°	120.0°
C02	C03	O11	120.1°	119.9°
C02	C03	C04	119.8°	120.2°
C07	C06	C08	118.9°	120.1°
C07	C06	C05	120.4°	119.8°
C06	C07	H6	119.9°	120.0°
O11	C03	C04	120.1°	119.9°
C03	O11	H8	109.5°	114.0°
C03	C04	C05	120.1°	120.1°
C03	C04	H4	120.0°	120.0°
C08	C06	C05	120.7°	120.1°
C06	C08	O10	119.4°	119.9°
C06	C08	O09	119.7°	120.0°
C06	C05	C04	119.6°	119.9°
C06	C05	H5	120.2°	120.0°
O10	C08	O09	120.9°	120.0°
C08	O09	H7	109.5°	117.0°
C05	C04	H4	119.9°	119.9°
C04	C05	H5	120.2°	120.1°
H1	C01	H2	109.5°	109.4°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C07	C03	179.7°	179.7°
C01	C02	C07	C06	179.9°	179.7°
C01	C02	C03	O11	0.2°	0.1°
C01	C02	C03	C04	179.9°	180.0°
C02	C01	H1	H2	120.0°	120.0°
C02	C01	H1	H3	120.0°	120.0°
C02	C01	H2	H3	120.0°	120.0°
C01	C02	C07	H6	0.1°	0.0°
C02	C07	C06	H6	180.0°	179.7°
C07	C02	C03	O11	179.9°	179.8°
C07	C02	C03	C04	0.2°	0.3°
C02	C07	C06	C08	179.9°	179.6°
C02	C07	C06	C05	0.0°	0.5°
C07	C02	C01	H1	89.9°	90.0°
C07	C02	C01	H2	150.1°	150.0°
C07	C02	C01	H3	30.1°	30.0°
C03	C02	C07	C06	0.2°	0.6°
C02	C03	O11	C04	179.9°	179.9°
C02	C03	C04	C05	0.0°	0.1°
C03	C02	C01	H1	89.9°	89.7°
C03	C02	C01	H2	30.2°	30.3°
C03	C02	C01	H3	150.1°	150.3°
C02	C03	C04	H4	180.0°	180.0°
C03	C02	C07	H6	179.8°	179.7°
C02	C03	O11	H8	180.0°	90.1°
C07	C06	C08	C05	179.9°	179.8°
C07	C06	C08	O10	25.3°	0.2°
C07	C06	C08	O09	153.9°	179.7°
C07	C06	C05	C04	0.2°	0.2°
C07	C06	C05	H5	179.8°	179.8°
O11	C03	C04	C05	179.9°	179.9°
O11	C03	C04	H4	0.1°	0.1°
C03	C04	C05	C06	0.2°	0.0°
C03	C04	C05	H4	180.0°	180.0°
C03	C04	C05	H5	179.8°	180.0°
C04	C03	O11	H8	0.1°	90.0°
C06	C08	O10	O09	179.3°	179.9°
C08	C06	C05	C04	179.9°	179.9°
C08	C06	C05	H5	0.1°	0.1°
C08	C06	C07	H6	0.0°	0.0°
C06	C08	O09	H7	179.2°	180.0°
C05	C06	C08	O10	154.6°	180.0°
C05	C06	C08	O09	26.1°	0.1°
C06	C05	C04	H5	180.0°	180.0°
C06	C05	C04	H4	179.9°	180.0°
C05	C06	C07	H6	180.0°	179.8°
O10	C08	O09	H7	0.0°	0.1°
H1	C01	H2	H3	120.0°	120.0°
H4	C04	C05	H5	0.2°	0.0°

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