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Summary Geometry Related PDB entries

A1BDX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	O01	sing	1.43Å	1.44Å
C02	C03	sing	1.51Å	1.54Å
C04	C03	sing	1.39Å	1.39Å	Aromatic
C04	C05	doub	1.38Å	1.43Å	Aromatic
C03	C11	doub	1.37Å	1.44Å	Aromatic
C05	C06	sing	1.39Å	1.46Å	Aromatic
C11	C10	sing	1.39Å	1.47Å	Aromatic
C06	C10	doub	1.40Å	1.37Å	Aromatic
C06	O07	sing	1.35Å	1.34Å	Aromatic
C10	C09	sing	1.47Å	1.43Å	Aromatic
O07	C08	sing	1.34Å	1.31Å	Aromatic
C09	C08	doub	1.34Å	1.38Å	Aromatic
C02	H1	sing	1.09Å	1.10Å
C02	H2	sing	1.09Å	1.10Å
C04	H3	sing	1.08Å	1.08Å
C05	H4	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
O01	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C03	107.8°	109.4°
O01	C02	H1	109.9°	109.4°
O01	C02	H2	109.9°	109.4°
C02	O01	H8	109.5°	114.0°
C02	C03	C04	118.8°	119.8°
C02	C03	C11	121.4°	119.8°
C03	C02	H1	109.9°	109.5°
C03	C02	H2	109.9°	109.5°
C03	C04	C05	120.6°	120.7°
C04	C03	C11	119.8°	120.5°
C03	C04	H3	119.7°	119.7°
C04	C05	C06	119.9°	119.8°
C05	C04	H3	119.7°	119.6°
C04	C05	H4	120.0°	120.1°
C03	C11	C10	119.7°	119.7°
C03	C11	H7	120.2°	120.2°
C05	C06	C10	120.2°	119.3°
C05	C06	O07	130.5°	133.5°
C06	C05	H4	120.1°	120.1°
C11	C10	C06	119.8°	120.1°
C11	C10	C09	135.7°	134.4°
C10	C11	H7	120.1°	120.1°
C10	C06	O07	109.3°	107.3°
C06	C10	C09	104.4°	105.5°
C06	O07	C08	110.9°	110.9°
C10	C09	C08	107.9°	106.2°
C10	C09	H6	126.1°	126.9°
O07	C08	C09	107.5°	110.2°
O07	C08	H5	126.3°	124.9°
C09	C08	H5	126.3°	125.0°
C08	C09	H6	126.0°	126.9°
H1	C02	H2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C03	H1	119.8°	120.0°
O01	C02	C03	H2	119.7°	119.9°
O01	C02	C03	C04	143.9°	89.8°
O01	C02	C03	C11	36.3°	90.0°
O01	C02	H1	H2	120.8°	119.9°
C02	C03	C04	C11	179.8°	179.8°
C02	C03	C04	C05	179.9°	180.0°
C02	C03	C11	C10	179.8°	179.7°
C03	C02	H1	H2	120.8°	120.1°
C02	C03	C04	H3	0.1°	0.0°
C02	C03	C11	H7	0.1°	0.0°
C03	C02	O01	H8	180.0°	180.0°
C03	C04	C05	H3	180.0°	180.0°
C03	C04	C05	C06	0.2°	0.0°
C04	C03	C11	C10	0.1°	0.5°
C04	C03	C02	H1	24.1°	30.2°
C04	C03	C02	H2	96.4°	150.3°
C03	C04	C05	H4	179.8°	180.0°
C04	C03	C11	H7	179.9°	179.7°
C05	C04	C03	C11	0.1°	0.3°
C04	C05	C06	H4	180.0°	180.0°
C04	C05	C06	C10	0.5°	0.0°
C04	C05	C06	O07	179.3°	180.0°
C03	C11	C10	H7	180.0°	179.7°
C03	C11	C10	C06	0.2°	0.5°
C03	C11	C10	C09	179.5°	179.8°
C11	C03	C02	H1	156.1°	150.0°
C11	C03	C02	H2	83.4°	29.9°
C11	C03	C04	H3	179.9°	179.7°
C05	C06	C10	C11	0.5°	0.2°
C05	C06	C10	O07	179.1°	180.0°
C05	C06	C10	C09	180.0°	180.0°
C05	C06	O07	C08	179.7°	180.0°
C06	C05	C04	H3	179.8°	180.0°
C11	C10	C06	C09	179.5°	179.8°
C11	C10	C06	O07	179.6°	179.8°
C11	C10	C09	C08	179.8°	179.7°
C11	C10	C09	H6	0.2°	0.3°
C10	C06	O07	C08	0.7°	0.0°
C06	C10	C09	C08	0.9°	0.0°
C10	C06	C05	H4	179.5°	180.0°
C06	C10	C09	H6	179.1°	179.9°
C06	C10	C11	H7	179.8°	179.8°
O07	C06	C10	C09	1.0°	0.0°
C06	O07	C08	C09	0.2°	0.0°
O07	C06	C05	H4	0.7°	0.0°
C06	O07	C08	H5	179.8°	180.0°
C10	C09	C08	O07	0.5°	0.0°
C10	C09	C08	H6	180.0°	179.9°
C10	C09	C08	H5	179.6°	180.0°
C09	C10	C11	H7	0.5°	0.1°
O07	C08	C09	H5	180.0°	180.0°
O07	C08	C09	H6	179.5°	179.9°
H1	C02	O01	H8	60.2°	60.0°
H2	C02	O01	H8	60.3°	60.0°
H3	C04	C05	H4	0.2°	0.0°
H5	C08	C09	H6	0.4°	0.1°

251801

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