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Summary Geometry Related PDB entries

A1I21

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C06	N07	doub	1.33Å	1.24Å	Aromatic
C06	C05	sing	1.36Å	1.37Å	Aromatic
N07	C08	sing	1.31Å	1.28Å	Aromatic
C05	C04	doub	1.41Å	1.37Å	Aromatic
C08	C03	doub	1.41Å	1.38Å	Aromatic
C04	C03	sing	1.42Å	1.35Å	Aromatic
C04	C09	sing	1.40Å	1.37Å	Aromatic
C03	C02	sing	1.40Å	1.37Å	Aromatic
C09	C10	doub	1.39Å	1.41Å	Aromatic
C02	C01	doub	1.36Å	1.36Å	Aromatic
C10	C01	sing	1.41Å	1.34Å	Aromatic
C10	C11	sing	1.48Å	1.47Å
O12	C11	doub	1.21Å	1.27Å
C11	O13	sing	1.35Å	1.35Å
C01	H1	sing	1.08Å	1.08Å
C02	H2	sing	1.08Å	1.08Å
C05	H3	sing	1.08Å	1.08Å
C06	H4	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
O13	H7	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N07	C06	C05	120.8°	121.8°
C06	N07	C08	122.8°	122.9°
N07	C06	H4	119.6°	119.1°
C06	C05	C04	120.7°	118.6°
C06	C05	H3	119.6°	120.6°
C05	C06	H4	119.6°	119.1°
N07	C08	C03	119.6°	119.9°
N07	C08	H5	120.2°	120.1°
C05	C04	C03	115.1°	118.3°
C05	C04	C09	124.1°	122.1°
C04	C05	H3	119.6°	120.7°
C08	C03	C04	121.0°	118.5°
C08	C03	C02	119.9°	121.8°
C03	C08	H5	120.2°	120.0°
C03	C04	C09	120.8°	119.7°
C04	C03	C02	119.1°	119.7°
C04	C09	C10	119.7°	119.3°
C04	C09	H6	120.2°	120.3°
C03	C02	C01	121.1°	119.9°
C03	C02	H2	119.4°	120.1°
C09	C10	C01	118.1°	120.5°
C09	C10	C11	120.9°	119.7°
C10	C09	H6	120.2°	120.4°
C02	C01	C10	121.1°	120.9°
C02	C01	H1	119.4°	119.5°
C01	C02	H2	119.5°	120.0°
C01	C10	C11	120.9°	119.7°
C10	C01	H1	119.4°	119.5°
C10	C11	O12	110.0°	120.0°
C10	C11	O13	122.9°	120.0°
O12	C11	O13	126.9°	120.0°
C11	O13	H7	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N07	C06	C05	H4	180.0°	179.9°
N07	C06	C05	C04	0.9°	0.1°
C06	N07	C08	C03	2.5°	0.1°
N07	C06	C05	H3	179.1°	179.9°
C06	N07	C08	H5	177.6°	179.9°
C05	C06	N07	C08	0.3°	0.1°
C06	C05	C04	H3	180.0°	180.0°
C06	C05	C04	C03	0.2°	0.0°
C06	C05	C04	C09	177.0°	179.7°
N07	C08	C03	H5	180.0°	180.0°
N07	C08	C03	C04	3.5°	0.0°
N07	C08	C03	C02	178.7°	180.0°
C08	N07	C06	H4	179.6°	179.9°
C05	C04	C03	C08	2.2°	0.0°
C05	C04	C03	C09	176.9°	179.7°
C05	C04	C03	C02	179.9°	180.0°
C05	C04	C09	C10	179.6°	179.7°
C04	C05	C06	H4	179.2°	179.9°
C05	C04	C09	H6	0.4°	0.4°
C08	C03	C04	C02	177.8°	180.0°
C08	C03	C04	C09	179.2°	179.7°
C08	C03	C02	C01	179.2°	180.0°
C08	C03	C02	H2	0.8°	0.0°
C03	C04	C09	C10	2.9°	0.6°
C04	C03	C02	C01	1.4°	0.0°
C04	C03	C02	H2	178.6°	180.0°
C03	C04	C05	H3	179.8°	180.0°
C04	C03	C08	H5	176.5°	180.0°
C03	C04	C09	H6	177.0°	180.0°
C09	C04	C03	C02	3.0°	0.3°
C04	C09	C10	H6	180.0°	179.4°
C04	C09	C10	C01	1.2°	0.6°
C04	C09	C10	C11	178.5°	179.7°
C09	C04	C05	H3	3.0°	0.3°
C03	C02	C01	H2	180.0°	180.0°
C03	C02	C01	C10	0.3°	0.0°
C03	C02	C01	H1	179.7°	180.0°
C02	C03	C08	H5	1.3°	0.0°
C09	C10	C01	C02	0.3°	0.3°
C09	C10	C01	C11	179.8°	179.7°
C09	C10	C11	O12	0.2°	0.3°
C09	C10	C11	O13	174.6°	179.7°
C09	C10	C01	H1	179.7°	179.7°
C02	C01	C10	H1	180.0°	180.0°
C02	C01	C10	C11	179.9°	180.0°
C01	C10	C11	O12	179.6°	180.0°
C01	C10	C11	O13	5.6°	0.0°
C10	C01	C02	H2	179.7°	180.0°
C01	C10	C09	H6	178.7°	180.0°
C10	C11	O12	O13	174.6°	180.0°
C11	C10	C01	H1	0.1°	0.0°
C11	C10	C09	H6	1.5°	0.3°
C10	C11	O13	H7	173.9°	180.0°
O12	C11	O13	H7	0.0°	0.0°
H1	C01	C02	H2	0.3°	0.0°
H3	C05	C06	H4	0.8°	0.1°

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