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Summary Geometry Related PDB entries

A1CPI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C09	N08	doub	1.29Å	1.32Å	Aromatic
C09	S10	sing	1.76Å	1.73Å	Aromatic
N08	N07	sing	1.26Å	1.36Å	Aromatic
S10	C06	sing	1.77Å	1.73Å	Aromatic
N07	C06	doub	1.30Å	1.32Å	Aromatic
C06	N05	sing	1.39Å	1.46Å
C01	C12	doub	1.38Å	1.38Å	Aromatic
C01	C02	sing	1.38Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C02	C03	doub	1.38Å	1.38Å	Aromatic
C11	C04	doub	1.39Å	1.38Å	Aromatic
C03	C04	sing	1.39Å	1.38Å	Aromatic
C04	N05	sing	1.40Å	1.46Å
C01	H1	sing	1.08Å	1.08Å
C02	H2	sing	1.08Å	1.08Å
C03	H3	sing	1.08Å	1.08Å
C09	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C12	H6	sing	1.08Å	1.08Å
N05	H7	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N08	C09	S10	105.7°	107.9°
C09	N08	N07	116.8°	118.0°
N08	C09	H4	127.1°	126.0°
C09	S10	C06	95.3°	88.8°
S10	C09	H4	127.2°	126.1°
N08	N07	C06	116.5°	117.6°
S10	C06	N07	105.7°	107.7°
S10	C06	N05	128.4°	126.1°
N07	C06	N05	125.8°	126.2°
C06	N05	C04	124.9°	120.0°
C06	N05	H7	117.5°	120.0°
C12	C01	C02	120.0°	120.1°
C01	C12	C11	119.8°	120.1°
C12	C01	H1	120.0°	119.9°
C01	C12	H6	120.1°	120.0°
C01	C02	C03	120.0°	120.1°
C02	C01	H1	120.0°	119.9°
C01	C02	H2	120.0°	119.9°
C12	C11	C04	120.6°	120.0°
C12	C11	H5	119.7°	120.0°
C11	C12	H6	120.1°	120.0°
C02	C03	C04	120.3°	119.9°
C03	C02	H2	120.0°	119.9°
C02	C03	H3	119.9°	120.1°
C11	C04	C03	119.3°	119.8°
C11	C04	N05	119.7°	120.1°
C04	C11	H5	119.7°	120.0°
C03	C04	N05	120.9°	120.1°
C04	C03	H3	119.8°	120.0°
C04	N05	H7	117.6°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N08	C09	S10	H4	180.0°	179.7°
N08	C09	S10	C06	0.1°	0.4°
C09	N08	N07	C06	0.4°	0.0°
S10	C09	N08	N07	0.1°	0.3°
C09	S10	C06	N07	0.3°	0.4°
C09	S10	C06	N05	179.2°	180.0°
N08	N07	C06	S10	0.4°	0.3°
N08	N07	C06	N05	179.4°	180.0°
N07	N08	C09	H4	179.8°	180.0°
S10	C06	N07	N05	178.9°	179.7°
S10	C06	N05	C04	28.1°	174.7°
C06	S10	C09	H4	179.9°	179.9°
S10	C06	N05	H7	151.9°	5.2°
N07	C06	N05	C04	153.2°	5.7°
N07	C06	N05	H7	26.8°	174.4°
C06	N05	C04	C11	126.4°	151.3°
C06	N05	C04	C03	54.8°	28.7°
C06	N05	C04	H7	180.0°	179.9°
C12	C01	C02	H1	180.0°	179.8°
C01	C12	C11	H6	180.0°	179.9°
C12	C01	C02	C03	0.4°	0.0°
C01	C12	C11	C04	0.2°	0.0°
C12	C01	C02	H2	179.6°	179.9°
C01	C12	C11	H5	179.8°	179.9°
C02	C01	C12	C11	0.0°	0.0°
C01	C02	C03	H2	180.0°	180.0°
C01	C02	C03	C04	0.9°	0.0°
C01	C02	C03	H3	179.1°	180.0°
C02	C01	C12	H6	180.0°	180.0°
C12	C11	C04	H5	180.0°	180.0°
C12	C11	C04	C03	0.6°	0.0°
C12	C11	C04	N05	179.4°	180.0°
C11	C12	C01	H1	179.9°	179.7°
C02	C03	C04	C11	1.0°	0.0°
C02	C03	C04	H3	180.0°	180.0°
C02	C03	C04	N05	179.7°	180.0°
C03	C02	C01	H1	179.6°	179.8°
C11	C04	C03	N05	178.7°	180.0°
C11	C04	C03	H3	179.0°	180.0°
C04	C11	C12	H6	179.9°	180.0°
C11	C04	N05	H7	53.6°	28.8°
C04	C03	C02	H2	179.1°	180.0°
C03	C04	C11	H5	179.4°	180.0°
C03	C04	N05	H7	125.1°	151.2°
N05	C04	C03	H3	0.3°	0.0°
N05	C04	C11	H5	0.6°	0.1°
H1	C01	C02	H2	0.4°	0.3°
H1	C01	C12	H6	0.0°	0.2°
H2	C02	C03	H3	0.9°	0.0°
H5	C11	C12	H6	0.1°	0.0°

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