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Summary Geometry Related PDB entries

81P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O10	C09	doub	1.21Å	0.00Å
C07	C08	doub	1.37Å	0.00Å	Aromatic
C07	C06	sing	1.40Å	0.00Å	Aromatic
C09	O11	sing	1.35Å	0.00Å
C09	C06	sing	1.47Å	0.00Å
C08	C03	sing	1.39Å	0.00Å	Aromatic
C06	C05	doub	1.40Å	0.00Å	Aromatic
C03	N02	sing	1.39Å	0.00Å
C03	C04	doub	1.39Å	0.00Å	Aromatic
C05	C04	sing	1.37Å	0.00Å	Aromatic
N02	C01	sing	1.46Å	0.00Å
C01	H1	sing	1.09Å	0.00Å
C01	H2	sing	1.09Å	0.00Å
C01	H3	sing	1.09Å	0.00Å
N02	H4	sing	0.97Å	0.00Å
C04	H5	sing	1.08Å	0.00Å
C05	H6	sing	1.08Å	0.00Å
C07	H7	sing	1.08Å	0.00Å
C08	H8	sing	1.08Å	0.00Å
O11	H9	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O10	C09	O11	90.0°	120.0°
O10	C09	C06	90.0°	120.0°
C08	C07	C06	90.0°	119.9°
C07	C08	C03	90.0°	120.0°
C08	C07	H7	90.0°	120.0°
C07	C08	H8	90.0°	120.0°
C07	C06	C09	90.0°	120.1°
C07	C06	C05	90.0°	119.9°
C06	C07	H7	90.0°	120.1°
O11	C09	C06	90.0°	120.0°
C09	O11	H9	90.0°	117.0°
C09	C06	C05	90.0°	120.1°
C08	C03	N02	90.0°	119.9°
C08	C03	C04	90.0°	120.2°
C03	C08	H8	90.0°	120.0°
C06	C05	C04	90.0°	119.9°
C06	C05	H6	90.0°	120.0°
N02	C03	C04	90.0°	119.9°
C03	N02	C01	90.0°	120.0°
C03	N02	H4	90.0°	120.0°
C03	C04	C05	90.0°	120.1°
C03	C04	H5	90.0°	120.0°
C05	C04	H5	90.0°	119.9°
C04	C05	H6	90.0°	120.0°
N02	C01	H1	90.0°	109.5°
N02	C01	H2	90.0°	109.4°
N02	C01	H3	90.0°	109.5°
C01	N02	H4	90.0°	120.0°
H1	C01	H2	90.0°	109.5°
H1	C01	H3	90.0°	109.5°
H2	C01	H3	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O10	C09	C06	C07	90.0°	180.0°
O10	C09	O11	C06	90.0°	180.0°
O10	C09	C06	C05	90.0°	0.0°
O10	C09	O11	H9	90.0°	0.0°
C08	C07	C06	H7	90.0°	179.5°
C08	C07	C06	C09	90.0°	179.8°
C07	C08	C03	H8	90.0°	179.5°
C08	C07	C06	C05	90.0°	0.3°
C07	C08	C03	N02	90.0°	179.8°
C07	C08	C03	C04	90.0°	0.5°
C07	C06	C09	O11	90.0°	0.0°
C07	C06	C09	C05	90.0°	180.0°
C06	C07	C08	C03	90.0°	0.5°
C07	C06	C05	C04	90.0°	0.0°
C07	C06	C05	H6	90.0°	180.0°
C06	C07	C08	H8	90.0°	180.0°
O11	C09	C06	C05	90.0°	180.0°
C09	C06	C05	C04	90.0°	180.0°
C09	C06	C05	H6	90.0°	0.0°
C09	C06	C07	H7	90.0°	0.3°
C06	C09	O11	H9	90.0°	180.0°
C08	C03	N02	C04	90.0°	179.7°
C08	C03	C04	C05	90.0°	0.3°
C08	C03	N02	C01	90.0°	0.2°
C08	C03	N02	H4	90.0°	179.7°
C08	C03	C04	H5	90.0°	179.8°
C03	C08	C07	H7	90.0°	180.0°
C06	C05	C04	C03	90.0°	0.0°
C06	C05	C04	H6	90.0°	180.0°
C06	C05	C04	H5	90.0°	180.0°
C05	C06	C07	H7	90.0°	179.8°
N02	C03	C04	C05	90.0°	180.0°
C03	N02	C01	H4	90.0°	179.9°
C03	N02	C01	H1	90.0°	180.0°
C03	N02	C01	H2	90.0°	60.0°
C03	N02	C01	H3	90.0°	59.9°
N02	C03	C04	H5	90.0°	0.0°
N02	C03	C08	H8	90.0°	0.2°
C03	C04	C05	H5	90.0°	180.0°
C04	C03	N02	C01	90.0°	180.0°
C04	C03	N02	H4	90.0°	0.0°
C03	C04	C05	H6	90.0°	180.0°
C04	C03	C08	H8	90.0°	180.0°
N02	C01	H1	H2	90.0°	120.0°
N02	C01	H1	H3	90.0°	120.1°
N02	C01	H2	H3	90.0°	120.0°
H1	C01	H2	H3	90.0°	120.0°
H1	C01	N02	H4	90.0°	0.1°
H2	C01	N02	H4	90.0°	120.1°
H3	C01	N02	H4	90.0°	120.0°
H5	C04	C05	H6	90.0°	0.0°
H7	C07	C08	H8	90.0°	0.5°

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