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Summary Geometry Related PDB entries

ICB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C03	doub	1.38Å	1.39Å	Aromatic
C02	C01	sing	1.39Å	1.39Å	Aromatic
C03	C04	sing	1.39Å	1.40Å	Aromatic
C01	C06	doub	1.36Å	1.39Å	Aromatic
C04	N09	sing	1.37Å	1.36Å	Aromatic
C04	C05	doub	1.41Å	1.38Å	Aromatic
N09	C08	sing	1.38Å	1.34Å	Aromatic
C06	C05	sing	1.40Å	1.41Å	Aromatic
C05	C07	sing	1.42Å	1.42Å	Aromatic
C08	C07	doub	1.36Å	1.39Å	Aromatic
C08	C10	sing	1.47Å	1.50Å
O11	C10	doub	1.22Å	1.26Å
C10	O12	sing	1.35Å	1.26Å
C01	H1	sing	1.08Å	1.08Å
C02	H2	sing	1.08Å	1.08Å
C03	H3	sing	1.08Å	1.08Å
C06	H4	sing	1.08Å	1.08Å
C07	H5	sing	1.08Å	1.08Å
N09	H6	sing	0.97Å	1.00Å
O12	H7	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C03	C02	C01	121.3°	120.7°
C02	C03	C04	119.5°	119.8°
C03	C02	H2	119.4°	119.6°
C02	C03	H3	120.3°	120.1°
C02	C01	C06	119.2°	120.6°
C02	C01	H1	120.4°	119.7°
C01	C02	H2	119.3°	119.7°
C03	C04	N09	131.7°	133.2°
C03	C04	C05	119.5°	119.4°
C04	C03	H3	120.3°	120.1°
C01	C06	C05	119.7°	119.9°
C06	C01	H1	120.4°	119.7°
C01	C06	H4	120.2°	120.1°
N09	C04	C05	108.8°	107.4°
C04	N09	C08	110.4°	108.8°
C04	N09	H6	124.8°	125.6°
C04	C05	C06	120.9°	119.6°
C04	C05	C07	105.6°	107.0°
N09	C08	C07	107.4°	109.1°
N09	C08	C10	127.1°	125.4°
C08	N09	H6	124.8°	125.6°
C06	C05	C07	133.6°	133.4°
C05	C06	H4	120.2°	120.0°
C05	C07	C08	107.9°	107.7°
C05	C07	H5	126.1°	126.2°
C07	C08	C10	125.5°	125.4°
C08	C07	H5	126.0°	126.2°
C08	C10	O11	120.6°	120.0°
C08	C10	O12	120.7°	120.0°
O11	C10	O12	118.7°	120.0°
C10	O12	H7	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C03	C02	C01	H2	180.0°	180.0°
C02	C03	C04	H3	180.0°	179.8°
C03	C02	C01	C06	0.8°	0.0°
C02	C03	C04	N09	179.7°	180.0°
C02	C03	C04	C05	0.7°	0.1°
C03	C02	C01	H1	179.2°	179.6°
C01	C02	C03	C04	1.0°	0.0°
C02	C01	C06	H1	180.0°	179.6°
C02	C01	C06	C05	0.2°	0.0°
C01	C02	C03	H3	179.0°	179.9°
C02	C01	C06	H4	179.9°	179.7°
C03	C04	N09	C05	179.7°	180.0°
C03	C04	N09	C08	179.7°	180.0°
C03	C04	C05	C06	0.1°	0.1°
C03	C04	C05	C07	179.8°	180.0°
C04	C03	C02	H2	179.0°	179.9°
C03	C04	N09	H6	0.2°	0.1°
C01	C06	C05	C04	0.2°	0.0°
C01	C06	C05	H4	180.0°	179.7°
C01	C06	C05	C07	180.0°	179.9°
C06	C01	C02	H2	179.2°	180.0°
C04	N09	C08	H6	180.0°	179.9°
N09	C04	C05	C06	179.8°	179.9°
N09	C04	C05	C07	0.1°	0.0°
C04	N09	C08	C07	0.0°	0.0°
C04	N09	C08	C10	179.7°	180.0°
N09	C04	C03	H3	0.3°	0.1°
C05	C04	N09	C08	0.0°	0.0°
C04	C05	C06	C07	179.9°	179.9°
C04	C05	C07	C08	0.1°	0.0°
C05	C04	C03	H3	179.4°	179.9°
C04	C05	C06	H4	179.8°	179.7°
C04	C05	C07	H5	179.9°	180.0°
C05	C04	N09	H6	179.9°	180.0°
N09	C08	C07	C05	0.1°	0.0°
N09	C08	C07	C10	179.7°	179.9°
N09	C08	C10	O11	6.3°	179.8°
N09	C08	C10	O12	172.8°	0.1°
N09	C08	C07	H5	179.9°	180.0°
C06	C05	C07	C08	179.8°	179.9°
C05	C06	C01	H1	179.8°	179.6°
C06	C05	C07	H5	0.2°	0.1°
C05	C07	C08	H5	180.0°	180.0°
C05	C07	C08	C10	179.7°	179.9°
C07	C05	C06	H4	0.0°	0.4°
C07	C08	C10	O11	174.0°	0.3°
C07	C08	C10	O12	6.9°	179.9°
C07	C08	N09	H6	180.0°	180.0°
C08	C10	O11	O12	179.2°	179.7°
C10	C08	C07	H5	0.3°	0.0°
C10	C08	N09	H6	0.2°	0.1°
C08	C10	O12	H7	179.1°	180.0°
O11	C10	O12	H7	0.0°	0.2°
H1	C01	C02	H2	0.8°	0.4°
H1	C01	C06	H4	0.1°	0.0°
H2	C02	C03	H3	1.0°	0.1°

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