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Summary Geometry Related PDB entries

J66

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	doub	1.21Å	1.18Å
C10	C09	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.39Å	1.40Å	Aromatic
C09	C08	sing	1.38Å	1.40Å	Aromatic
C02	C11	sing	1.48Å	1.54Å
C02	N03	sing	1.35Å	1.44Å
C11	C06	doub	1.41Å	1.39Å	Aromatic
C08	C07	doub	1.39Å	1.39Å	Aromatic
N03	O04	sing	1.42Å	1.38Å
N03	C05	sing	1.35Å	1.43Å
C06	C07	sing	1.39Å	1.40Å	Aromatic
C06	C05	sing	1.48Å	1.54Å
C05	O12	doub	1.22Å	1.18Å
C07	H1	sing	1.08Å	1.08Å
C08	H2	sing	1.08Å	1.08Å
C09	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
O04	H5	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C11	126.8°	125.7°
O01	C02	N03	125.7°	125.7°
C09	C10	C11	118.3°	119.7°
C10	C09	C08	121.0°	120.4°
C10	C09	H3	119.5°	119.8°
C09	C10	H4	120.9°	120.2°
C10	C11	C02	131.4°	134.3°
C10	C11	C06	120.6°	119.8°
C11	C10	H4	120.8°	120.1°
C09	C08	C07	120.6°	120.5°
C09	C08	H2	119.7°	119.7°
C08	C09	H3	119.5°	119.8°
C11	C02	N03	107.5°	108.6°
C02	C11	C06	108.0°	105.9°
C02	N03	O04	126.9°	124.4°
C02	N03	C05	108.8°	111.0°
C11	C06	C07	121.0°	119.8°
C11	C06	C05	107.9°	105.9°
C08	C07	C06	118.5°	119.7°
C08	C07	H1	120.7°	120.2°
C07	C08	H2	119.7°	119.8°
O04	N03	C05	124.3°	124.5°
N03	O04	H5	109.5°	114.0°
N03	C05	C06	107.9°	108.6°
N03	C05	O12	125.5°	125.7°
C07	C06	C05	131.2°	134.4°
C06	C07	H1	120.7°	120.1°
C06	C05	O12	126.6°	125.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C11	C10	0.4°	0.2°
O01	C02	C11	N03	179.6°	179.8°
O01	C02	C11	C06	179.9°	179.8°
O01	C02	N03	O04	1.2°	0.2°
O01	C02	N03	C05	179.6°	179.8°
C09	C10	C11	H4	180.0°	179.9°
C10	C09	C08	H3	180.0°	180.0°
C09	C10	C11	C02	179.8°	180.0°
C09	C10	C11	C06	0.5°	0.0°
C10	C09	C08	C07	0.5°	0.0°
C10	C09	C08	H2	179.5°	179.9°
C11	C10	C09	C08	0.6°	0.0°
C10	C11	C02	C06	179.7°	180.0°
C10	C11	C02	N03	180.0°	180.0°
C10	C11	C06	C07	0.3°	0.0°
C10	C11	C06	C05	179.8°	180.0°
C11	C10	C09	H3	179.4°	180.0°
C09	C08	C07	H2	180.0°	179.9°
C09	C08	C07	C06	0.3°	0.0°
C09	C08	C07	H1	179.7°	180.0°
C08	C09	C10	H4	179.4°	180.0°
C11	C02	N03	O04	179.2°	180.0°
C11	C02	N03	C05	0.0°	0.0°
C02	C11	C06	C07	179.9°	180.0°
C02	C11	C06	C05	0.5°	0.0°
C02	C11	C10	H4	0.2°	0.1°
N03	C02	C11	C06	0.3°	0.0°
C02	N03	O04	C05	179.1°	179.9°
C02	N03	C05	C06	0.3°	0.0°
C02	N03	C05	O12	179.6°	180.0°
C02	N03	O04	H5	179.6°	179.9°
C11	C06	C07	C08	0.2°	0.0°
C11	C06	C05	N03	0.5°	0.0°
C11	C06	C07	C05	179.3°	180.0°
C11	C06	C05	O12	179.4°	180.0°
C11	C06	C07	H1	179.7°	180.0°
C06	C11	C10	H4	179.5°	180.0°
C08	C07	C06	H1	180.0°	180.0°
C08	C07	C06	C05	179.5°	180.0°
C07	C08	C09	H3	179.5°	180.0°
O04	N03	C05	C06	179.0°	180.0°
O04	N03	C05	O12	1.1°	0.1°
N03	C05	C06	C07	179.9°	180.0°
N03	C05	C06	O12	179.9°	180.0°
C05	N03	O04	H5	0.5°	0.0°
C07	C06	C05	O12	0.0°	0.1°
C06	C07	C08	H2	179.7°	180.0°
C05	C06	C07	H1	0.4°	0.0°
H1	C07	C08	H2	0.4°	0.0°
H2	C08	C09	H3	0.5°	0.0°
H3	C09	C10	H4	0.6°	0.1°

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