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Summary Geometry Related PDB entries

B7S

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O13	C06	sing	1.36Å	1.34Å
C06	C05	doub	1.39Å	1.40Å	Aromatic
C06	C07	sing	1.39Å	1.39Å	Aromatic
C05	C04	sing	1.39Å	1.40Å	Aromatic
C07	C08	doub	1.38Å	1.40Å	Aromatic
C04	O03	sing	1.35Å	1.39Å
C04	C09	doub	1.41Å	1.39Å	Aromatic
C08	C09	sing	1.40Å	1.42Å	Aromatic
C08	O12	sing	1.36Å	1.34Å
O03	C02	sing	1.34Å	1.36Å
C09	C10	sing	1.47Å	1.47Å
C02	C01	doub	1.34Å	1.33Å
C10	C01	sing	1.42Å	1.48Å
C10	O11	doub	1.22Å	1.21Å
C01	H011	sing	1.08Å	1.08Å
C02	H021	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C07	H071	sing	1.08Å	1.08Å
O12	H121	sing	0.97Å	0.95Å
O13	H131	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O13	C06	C05	120.2°	119.7°
O13	C06	C07	118.3°	119.7°
C06	O13	H131	109.5°	114.1°
C05	C06	C07	121.5°	120.7°
C06	C05	C04	120.8°	120.0°
C06	C05	H051	119.6°	120.0°
C06	C07	C08	117.3°	120.2°
C06	C07	H071	121.3°	119.9°
C05	C04	O03	120.4°	120.9°
C05	C04	C09	119.0°	119.5°
C04	C05	H051	119.6°	120.1°
C07	C08	C09	122.2°	119.4°
C07	C08	O12	120.6°	120.3°
C08	C07	H071	121.3°	119.9°
O03	C04	C09	120.6°	119.7°
C04	O03	C02	121.7°	122.4°
C04	C09	C08	119.2°	120.3°
C04	C09	C10	117.2°	118.3°
C09	C08	O12	117.3°	120.3°
C08	C09	C10	123.6°	121.4°
C08	O12	H121	109.5°	114.0°
O03	C02	C01	122.2°	122.8°
O03	C02	H021	118.9°	118.6°
C09	C10	C01	118.7°	117.2°
C09	C10	O11	122.0°	121.4°
C02	C01	C10	118.3°	119.6°
C02	C01	H011	120.8°	120.2°
C01	C02	H021	118.9°	118.6°
C01	C10	O11	119.2°	121.4°
C10	C01	H011	120.9°	120.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	C06	C05	C07	179.9°	180.0°
O13	C06	C05	C04	180.0°	180.0°
O13	C06	C07	C08	180.0°	179.1°
O13	C06	C05	H051	0.0°	0.0°
O13	C06	C07	H071	0.0°	0.1°
C06	C05	C04	H051	180.0°	179.9°
C05	C06	C07	C08	0.1°	0.9°
C06	C05	C04	O03	180.0°	180.0°
C06	C05	C04	C09	0.2°	0.9°
C05	C06	C07	H071	179.9°	180.0°
C05	C06	O13	H131	180.0°	90.0°
C07	C06	C05	C04	0.1°	0.0°
C06	C07	C08	H071	180.0°	179.1°
C06	C07	C08	C09	0.1°	0.9°
C06	C07	C08	O12	179.8°	179.9°
C07	C06	C05	H051	179.9°	179.9°
C07	C06	O13	H131	0.1°	90.0°
C05	C04	O03	C09	179.8°	179.1°
C05	C04	C09	C08	0.2°	0.9°
C05	C04	O03	C02	171.3°	180.0°
C05	C04	C09	C10	179.9°	179.7°
C07	C08	C09	C04	0.2°	0.0°
C07	C08	C09	O12	179.7°	179.2°
C07	C08	C09	C10	180.0°	179.4°
C07	C08	O12	H121	178.8°	90.0°
O03	C04	C09	C08	180.0°	180.0°
O03	C04	C09	C10	0.1°	0.6°
C04	O03	C02	C01	14.4°	0.7°
C04	O03	C02	H021	165.6°	179.4°
O03	C04	C05	H051	0.0°	0.1°
C04	C09	C08	C10	179.8°	179.4°
C04	C09	C08	O12	179.9°	179.2°
C09	C04	O03	C02	8.5°	0.9°
C04	C09	C10	C01	3.2°	0.0°
C04	C09	C10	O11	176.9°	179.7°
C09	C04	C05	H051	179.8°	179.2°
C08	C09	C10	C01	177.0°	179.4°
C08	C09	C10	O11	3.0°	0.3°
C09	C08	C07	H071	179.9°	180.0°
C09	C08	O12	H121	1.4°	89.2°
O12	C08	C09	C10	0.2°	0.2°
O12	C08	C07	H071	0.2°	0.9°
O03	C02	C01	H021	180.0°	179.9°
O03	C02	C01	C10	10.7°	0.0°
O03	C02	C01	H011	169.2°	180.0°
C09	C10	C01	C02	2.0°	0.3°
C09	C10	C01	O11	179.9°	179.7°
C09	C10	C01	H011	178.0°	179.7°
C02	C01	C10	H011	180.0°	180.0°
C02	C01	C10	O11	177.9°	180.0°
C10	C01	C02	H021	169.2°	180.0°
O11	C10	C01	H011	2.1°	0.0°
H011	C01	C02	H021	10.8°	0.0°

219869

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