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Summary Geometry Related PDB entries

U2Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O13	N12	sing	1.22Å	1.19Å
O14	N12	doub	1.22Å	1.40Å
O09	C08	doub	1.21Å	1.27Å
C08	O10	sing	1.34Å	1.26Å
C08	C07	sing	1.51Å	1.52Å
S06	C07	sing	1.81Å	1.82Å
S06	C05	sing	1.76Å	1.83Å
N12	C11	sing	1.48Å	1.46Å
C11	C05	doub	1.39Å	1.39Å	Aromatic
C11	C01	sing	1.38Å	1.39Å	Aromatic
C05	N04	sing	1.32Å	1.32Å	Aromatic
C01	C02	doub	1.39Å	1.39Å	Aromatic
N04	C03	doub	1.32Å	1.32Å	Aromatic
C02	C03	sing	1.38Å	1.38Å	Aromatic
C01	H1	sing	1.08Å	1.08Å
C02	H2	sing	1.08Å	1.08Å
C03	H3	sing	1.08Å	1.08Å
C07	H4	sing	1.09Å	1.10Å
C07	H5	sing	1.09Å	1.10Å
O10	H6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O13	N12	O14	115.4°	120.0°
O13	N12	C11	115.2°	120.0°
O14	N12	C11	110.9°	120.0°
O09	C08	O10	120.7°	120.0°
O09	C08	C07	120.6°	120.0°
O10	C08	C07	118.7°	120.0°
C08	O10	H6	109.5°	117.0°
C08	C07	S06	110.3°	109.5°
C08	C07	H4	109.3°	109.5°
C08	C07	H5	109.3°	109.5°
C07	S06	C05	102.3°	103.0°
S06	C07	H4	109.2°	109.5°
S06	C07	H5	109.3°	109.4°
S06	C05	C11	123.5°	119.7°
S06	C05	N04	115.3°	119.7°
N12	C11	C05	123.7°	120.5°
N12	C11	C01	118.2°	120.4°
C05	C11	C01	118.0°	119.1°
C11	C05	N04	121.2°	120.6°
C11	C01	C02	119.8°	118.5°
C11	C01	H1	120.1°	120.8°
C05	N04	C03	121.4°	121.6°
C01	C02	C03	117.9°	119.3°
C02	C01	H1	120.1°	120.7°
C01	C02	H2	121.1°	120.4°
N04	C03	C02	121.7°	120.9°
N04	C03	H3	119.2°	119.6°
C03	C02	H2	121.0°	120.3°
C02	C03	H3	119.1°	119.6°
H4	C07	H5	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	N12	O14	C11	133.2°	179.7°
O13	N12	C11	C05	142.7°	180.0°
O13	N12	C11	C01	40.9°	0.1°
O14	N12	C11	C05	9.4°	0.3°
O14	N12	C11	C01	174.2°	179.8°
O09	C08	O10	C07	178.6°	180.0°
O09	C08	C07	S06	2.7°	0.0°
O09	C08	C07	H4	117.4°	120.0°
O09	C08	C07	H5	122.8°	120.0°
O09	C08	O10	H6	0.0°	0.0°
O10	C08	C07	S06	178.7°	180.0°
O10	C08	C07	H4	61.2°	60.0°
O10	C08	C07	H5	58.6°	60.0°
C08	C07	S06	H4	120.1°	120.1°
C08	C07	S06	H5	120.1°	120.0°
C08	C07	S06	C05	179.7°	180.0°
C08	C07	H4	H5	119.6°	120.0°
C07	C08	O10	H6	178.6°	180.0°
C07	S06	C05	C11	179.7°	179.2°
C07	S06	C05	N04	0.4°	0.0°
S06	C07	H4	H5	119.6°	119.9°
S06	C05	C11	N12	3.1°	0.3°
S06	C05	C11	N04	179.2°	179.2°
S06	C05	C11	C01	179.6°	179.7°
S06	C05	N04	C03	179.6°	180.0°
C05	S06	C07	H4	60.2°	59.9°
C05	S06	C07	H5	59.5°	60.0°
N12	C11	C05	C01	176.5°	180.0°
N12	C11	C05	N04	177.7°	179.5°
N12	C11	C01	C02	178.1°	180.0°
N12	C11	C01	H1	1.9°	0.2°
C05	C11	C01	C02	1.5°	0.0°
C11	C05	N04	C03	0.4°	0.8°
C05	C11	C01	H1	178.5°	179.8°
C01	C11	C05	N04	1.3°	0.5°
C11	C01	C02	H1	180.0°	179.8°
C11	C01	C02	C03	0.9°	0.3°
C11	C01	C02	H2	179.1°	179.8°
C05	N04	C03	C02	0.3°	0.5°
C05	N04	C03	H3	179.7°	179.4°
C01	C02	C03	N04	0.1°	0.0°
C01	C02	C03	H2	180.0°	179.9°
C01	C02	C03	H3	179.9°	180.0°
N04	C03	C02	H3	180.0°	179.9°
N04	C03	C02	H2	179.9°	179.9°
C03	C02	C01	H1	179.1°	180.0°
H1	C01	C02	H2	0.9°	0.1°
H2	C02	C03	H3	0.1°	0.2°

222415

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