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Summary Geometry Related PDB entries

5I2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C09	C06	doub	1.36Å	1.39Å	Aromatic
C09	C08	sing	1.39Å	1.39Å	Aromatic
C06	C03	sing	1.41Å	1.39Å	Aromatic
C08	C04	doub	1.38Å	1.39Å	Aromatic
C03	C07	sing	1.41Å	1.38Å	Aromatic
C03	C02	doub	1.42Å	1.39Å	Aromatic
C04	C02	sing	1.41Å	1.38Å	Aromatic
C04	N01	sing	1.39Å	1.45Å
C07	C11	doub	1.36Å	1.38Å	Aromatic
C02	C05	sing	1.40Å	1.38Å	Aromatic
C11	C10	sing	1.39Å	1.38Å	Aromatic
C05	C10	doub	1.36Å	1.38Å	Aromatic
C05	H1	sing	1.08Å	1.08Å
C06	H2	sing	1.08Å	1.08Å
C07	H3	sing	1.08Å	1.08Å
C08	H4	sing	1.08Å	1.08Å
C09	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
N01	H8	sing	0.97Å	1.00Å
N01	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C06	C09	C08	120.1°	121.1°
C09	C06	C03	119.8°	119.9°
C09	C06	H2	120.1°	120.0°
C06	C09	H5	120.0°	119.4°
C09	C08	C04	120.1°	120.8°
C09	C08	H4	119.9°	119.6°
C08	C09	H5	120.0°	119.5°
C06	C03	C07	120.0°	121.2°
C06	C03	C02	119.9°	119.5°
C03	C06	H2	120.1°	120.1°
C08	C04	C02	119.7°	119.4°
C08	C04	N01	120.5°	120.3°
C04	C08	H4	120.0°	119.6°
C07	C03	C02	120.1°	119.3°
C03	C07	C11	119.7°	119.7°
C03	C07	H3	120.2°	120.1°
C03	C02	C04	120.4°	119.3°
C03	C02	C05	120.1°	119.4°
C02	C04	N01	119.9°	120.3°
C04	C02	C05	119.5°	121.3°
C04	N01	H8	109.5°	120.0°
C04	N01	H9	109.5°	120.0°
C07	C11	C10	120.4°	121.0°
C11	C07	H3	120.2°	120.2°
C07	C11	H7	119.8°	119.5°
C02	C05	C10	119.8°	119.7°
C02	C05	H1	120.1°	120.1°
C11	C10	C05	119.9°	120.9°
C11	C10	H6	120.1°	119.6°
C10	C11	H7	119.8°	119.5°
C10	C05	H1	120.1°	120.2°
C05	C10	H6	120.0°	119.5°
H8	N01	H9	109.4°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C06	C09	C08	H5	180.0°	179.7°
C09	C06	C03	H2	180.0°	180.0°
C06	C09	C08	C04	0.2°	0.2°
C09	C06	C03	C07	179.9°	180.0°
C09	C06	C03	C02	0.2°	0.1°
C06	C09	C08	H4	179.8°	179.8°
C08	C09	C06	C03	0.3°	0.2°
C09	C08	C04	H4	180.0°	180.0°
C09	C08	C04	C02	0.0°	0.0°
C09	C08	C04	N01	179.9°	180.0°
C08	C09	C06	H2	179.7°	179.8°
C06	C03	C07	C02	179.9°	179.9°
C06	C03	C02	C04	0.1°	0.2°
C06	C03	C07	C11	179.8°	179.9°
C06	C03	C02	C05	179.9°	180.0°
C06	C03	C07	H3	0.2°	0.1°
C03	C06	C09	H5	179.7°	180.0°
C08	C04	C02	C03	0.0°	0.2°
C08	C04	C02	N01	180.0°	180.0°
C08	C04	C02	C05	180.0°	180.0°
C04	C08	C09	H5	179.8°	179.9°
C08	C04	N01	H8	180.0°	180.0°
C08	C04	N01	H9	60.0°	0.1°
C07	C03	C02	C04	180.0°	179.7°
C03	C07	C11	H3	180.0°	179.9°
C07	C03	C02	C05	0.0°	0.0°
C03	C07	C11	C10	0.1°	0.0°
C07	C03	C06	H2	0.1°	0.1°
C03	C07	C11	H7	179.9°	179.9°
C03	C02	C04	C05	180.0°	179.8°
C03	C02	C04	N01	180.0°	179.8°
C02	C03	C07	C11	0.1°	0.0°
C03	C02	C05	C10	0.1°	0.1°
C03	C02	C05	H1	179.9°	180.0°
C02	C03	C06	H2	179.8°	180.0°
C02	C03	C07	H3	179.9°	180.0°
C04	C02	C05	C10	179.9°	179.7°
C04	C02	C05	H1	0.1°	0.2°
C02	C04	C08	H4	180.0°	180.0°
C02	C04	N01	H8	0.0°	0.0°
C02	C04	N01	H9	120.0°	179.9°
N01	C04	C02	C05	0.0°	0.0°
N01	C04	C08	H4	0.0°	0.0°
C04	N01	H8	H9	120.0°	179.9°
C07	C11	C10	H7	180.0°	180.0°
C07	C11	C10	C05	0.1°	0.0°
C07	C11	C10	H6	179.9°	180.0°
C02	C05	C10	C11	0.0°	0.1°
C02	C05	C10	H1	180.0°	179.9°
C02	C05	C10	H6	180.0°	180.0°
C11	C10	C05	H6	180.0°	179.9°
C11	C10	C05	H1	180.0°	180.0°
C10	C11	C07	H3	179.9°	180.0°
C05	C10	C11	H7	179.9°	179.9°
H1	C05	C10	H6	0.0°	0.1°
H2	C06	C09	H5	0.3°	0.0°
H3	C07	C11	H7	0.2°	0.0°
H4	C08	C09	H5	0.1°	0.0°
H6	C10	C11	H7	0.1°	0.0°

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