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Summary Geometry Related PDB entries

98T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
I11	C10	sing	2.09Å	2.13Å
O09	C08	sing	1.36Å	1.40Å
C10	C08	doub	1.39Å	1.39Å	Aromatic
C10	C12	sing	1.38Å	1.39Å	Aromatic
C08	C07	sing	1.39Å	1.39Å	Aromatic
C12	C05	doub	1.40Å	1.39Å	Aromatic
C07	C06	doub	1.38Å	1.39Å	Aromatic
C05	C06	sing	1.40Å	1.39Å	Aromatic
C05	C02	sing	1.48Å	1.54Å
O01	C02	doub	1.22Å	1.19Å
C02	O03	sing	1.35Å	1.40Å
O03	C04	sing	1.45Å	1.40Å
C04	H1	sing	1.09Å	1.10Å
C04	H2	sing	1.09Å	1.10Å
C04	H3	sing	1.09Å	1.10Å
C06	H4	sing	1.08Å	1.08Å
C07	H5	sing	1.08Å	1.08Å
O09	H6	sing	0.97Å	0.95Å
C12	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
I11	C10	C08	121.9°	120.0°
I11	C10	C12	119.3°	120.0°
O09	C08	C10	121.2°	119.9°
O09	C08	C07	118.9°	119.9°
C08	O09	H6	109.5°	114.0°
C08	C10	C12	118.7°	120.1°
C10	C08	C07	119.9°	120.2°
C10	C12	C05	121.7°	119.9°
C10	C12	H7	119.1°	120.1°
C08	C07	C06	120.9°	120.1°
C08	C07	H5	119.5°	120.0°
C12	C05	C06	118.7°	119.8°
C12	C05	C02	120.1°	120.0°
C05	C12	H7	119.1°	120.1°
C07	C06	C05	120.0°	119.9°
C07	C06	H4	120.0°	120.1°
C06	C07	H5	119.6°	119.9°
C06	C05	C02	121.2°	120.1°
C05	C06	H4	120.0°	120.0°
C05	C02	O01	120.2°	120.0°
C05	C02	O03	121.8°	120.0°
O01	C02	O03	118.1°	120.0°
C02	O03	C04	114.1°	117.0°
O03	C04	H1	109.5°	109.5°
O03	C04	H2	109.5°	109.4°
O03	C04	H3	109.5°	109.5°
H1	C04	H2	109.5°	109.4°
H1	C04	H3	109.4°	109.5°
H2	C04	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
I11	C10	C08	O09	0.1°	0.2°
I11	C10	C08	C12	180.0°	179.7°
I11	C10	C08	C07	179.9°	179.7°
I11	C10	C12	C05	180.0°	179.7°
I11	C10	C12	H7	0.1°	0.3°
O09	C08	C10	C07	180.0°	179.9°
O09	C08	C10	C12	179.9°	179.9°
O09	C08	C07	C06	179.9°	179.9°
O09	C08	C07	H5	0.1°	0.1°
C08	C10	C12	C05	0.0°	0.0°
C10	C08	C07	C06	0.1°	0.1°
C10	C08	C07	H5	179.9°	180.0°
C10	C08	O09	H6	180.0°	90.1°
C08	C10	C12	H7	180.0°	179.9°
C12	C10	C08	C07	0.1°	0.0°
C10	C12	C05	H7	180.0°	179.9°
C10	C12	C05	C06	0.1°	0.0°
C10	C12	C05	C02	179.9°	179.9°
C08	C07	C06	H5	180.0°	180.0°
C08	C07	C06	C05	0.0°	0.0°
C08	C07	C06	H4	180.0°	180.0°
C07	C08	O09	H6	0.0°	90.0°
C12	C05	C06	C07	0.1°	0.0°
C12	C05	C06	C02	179.8°	179.9°
C12	C05	C02	O01	5.1°	180.0°
C12	C05	C02	O03	174.9°	0.1°
C12	C05	C06	H4	179.9°	180.0°
C07	C06	C05	H4	180.0°	180.0°
C07	C06	C05	C02	179.8°	179.9°
C06	C05	C02	O01	174.6°	0.1°
C06	C05	C02	O03	5.3°	180.0°
C05	C06	C07	H5	180.0°	180.0°
C06	C05	C12	H7	179.9°	180.0°
C05	C02	O01	O03	179.9°	180.0°
C05	C02	O03	C04	179.8°	179.9°
C02	C05	C06	H4	0.1°	0.1°
C02	C05	C12	H7	0.1°	0.1°
O01	C02	O03	C04	0.2°	0.0°
C02	O03	C04	H1	180.0°	180.0°
C02	O03	C04	H2	60.0°	60.0°
C02	O03	C04	H3	60.0°	59.9°
O03	C04	H1	H2	120.0°	119.9°
O03	C04	H1	H3	120.0°	120.1°
O03	C04	H2	H3	120.0°	120.0°
H1	C04	H2	H3	120.0°	120.0°
H4	C06	C07	H5	0.0°	0.0°

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