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Summary Geometry Related PDB entries

A1JA8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C08	C09	doub	1.39Å	1.41Å	Aromatic
C08	C07	sing	1.38Å	1.40Å	Aromatic
C09	C10	sing	1.38Å	1.40Å	Aromatic
C07	C06	doub	1.39Å	1.41Å	Aromatic
C10	C11	doub	1.39Å	1.40Å	Aromatic
C06	C11	sing	1.40Å	1.40Å	Aromatic
C06	O05	sing	1.35Å	1.34Å	Aromatic
C11	C03	sing	1.48Å	1.46Å	Aromatic
O05	C04	sing	1.34Å	1.31Å	Aromatic
C03	C04	doub	1.36Å	1.42Å	Aromatic
C03	C02	sing	1.47Å	1.54Å
O01	C02	doub	1.22Å	1.27Å
C02	O12	sing	1.35Å	1.27Å
C04	H1	sing	1.08Å	1.08Å
C07	H2	sing	1.08Å	1.08Å
C08	H3	sing	1.08Å	1.08Å
C09	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
O12	H6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C09	C08	C07	120.3°	120.6°
C08	C09	C10	119.1°	120.2°
C09	C08	H3	119.8°	119.7°
C08	C09	H4	120.5°	119.9°
C08	C07	C06	120.1°	120.0°
C08	C07	H2	119.9°	120.0°
C07	C08	H3	119.9°	119.6°
C09	C10	C11	121.3°	119.6°
C10	C09	H4	120.5°	120.0°
C09	C10	H5	119.3°	120.2°
C07	C06	C11	119.7°	119.2°
C07	C06	O05	130.9°	133.1°
C06	C07	H2	120.0°	120.0°
C10	C11	C06	119.6°	120.3°
C10	C11	C03	135.3°	134.2°
C11	C10	H5	119.4°	120.2°
C11	C06	O05	109.4°	107.6°
C06	C11	C03	105.1°	105.5°
C06	O05	C04	111.0°	111.4°
C11	C03	C04	104.5°	105.7°
C11	C03	C02	128.8°	127.2°
O05	C04	C03	110.0°	109.9°
O05	C04	H1	125.0°	125.1°
C04	C03	C02	126.7°	127.2°
C03	C04	H1	125.0°	125.1°
C03	C02	O01	120.5°	120.0°
C03	C02	O12	119.6°	120.0°
O01	C02	O12	120.0°	120.0°
C02	O12	H6	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C09	C08	C07	H3	180.0°	180.0°
C08	C09	C10	H4	180.0°	180.0°
C09	C08	C07	C06	0.2°	0.0°
C08	C09	C10	C11	0.1°	0.0°
C09	C08	C07	H2	179.7°	180.0°
C08	C09	C10	H5	179.9°	179.9°
C07	C08	C09	C10	0.3°	0.0°
C08	C07	C06	H2	180.0°	179.9°
C08	C07	C06	C11	0.1°	0.1°
C08	C07	C06	O05	179.6°	180.0°
C07	C08	C09	H4	179.7°	180.0°
C09	C10	C11	H5	180.0°	179.9°
C09	C10	C11	C06	0.4°	0.0°
C09	C10	C11	C03	179.5°	179.7°
C10	C09	C08	H3	179.7°	180.0°
C07	C06	C11	C10	0.5°	0.1°
C07	C06	C11	O05	179.6°	179.9°
C07	C06	C11	C03	179.8°	179.7°
C07	C06	O05	C04	179.8°	179.5°
C06	C07	C08	H3	179.8°	180.0°
C10	C11	C06	C03	179.4°	179.8°
C10	C11	C06	O05	179.9°	180.0°
C10	C11	C03	C04	179.5°	179.7°
C10	C11	C03	C02	0.0°	0.0°
C11	C10	C09	H4	180.0°	180.0°
C11	C06	O05	C04	0.6°	0.4°
C06	C11	C03	C04	0.3°	0.1°
C06	C11	C03	C02	179.2°	179.7°
C11	C06	C07	H2	179.9°	180.0°
C06	C11	C10	H5	179.6°	179.9°
O05	C06	C11	C03	0.6°	0.2°
C06	O05	C04	C03	0.4°	0.5°
C06	O05	C04	H1	179.6°	179.6°
O05	C06	C07	H2	0.4°	0.1°
C11	C03	C04	O05	0.0°	0.3°
C11	C03	C04	C02	179.5°	179.7°
C11	C03	C02	O01	4.3°	0.1°
C11	C03	C02	O12	174.9°	179.7°
C11	C03	C04	H1	180.0°	179.7°
C03	C11	C10	H5	0.5°	0.4°
O05	C04	C03	H1	180.0°	179.9°
O05	C04	C03	C02	179.6°	180.0°
C04	C03	C02	O01	176.3°	179.7°
C04	C03	C02	O12	4.6°	0.1°
C03	C02	O01	O12	179.2°	179.7°
C02	C03	C04	H1	0.4°	0.1°
C03	C02	O12	H6	179.2°	180.0°
O01	C02	O12	H6	0.0°	0.3°
H2	C07	C08	H3	0.2°	0.0°
H3	C08	C09	H4	0.3°	0.0°
H4	C09	C10	H5	0.1°	0.1°

255239

PDB entries from 2026-06-17

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