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Summary Geometry Related PDB entries

A1BUQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O03	C02	doub	1.22Å	1.26Å
O01	C02	sing	1.35Å	1.27Å
C02	C04	sing	1.47Å	1.53Å
C04	C13	sing	1.47Å	1.44Å	Aromatic
C04	C05	doub	1.37Å	1.38Å	Aromatic
C12	C13	doub	1.39Å	1.41Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C13	C07	sing	1.40Å	1.39Å	Aromatic
C05	N06	sing	1.35Å	1.31Å	Aromatic
C11	C09	doub	1.39Å	1.38Å	Aromatic
C07	N06	sing	1.38Å	1.34Å	Aromatic
C07	C08	doub	1.39Å	1.41Å	Aromatic
C09	C08	sing	1.38Å	1.38Å	Aromatic
C09	CL1	sing	1.74Å	1.79Å
C05	H051	sing	1.08Å	1.08Å
C08	H081	sing	1.08Å	1.08Å
C11	H111	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å
N06	H061	sing	0.97Å	1.00Å
O01	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O03	C02	O01	117.9°	120.0°
O03	C02	C04	123.9°	120.0°
O01	C02	C04	118.2°	120.0°
C02	O01	H1	109.5°	117.0°
C02	C04	C13	135.0°	126.8°
C02	C04	C05	119.4°	126.8°
C13	C04	C05	105.6°	106.5°
C04	C13	C12	138.0°	134.0°
C04	C13	C07	106.2°	105.9°
C04	C05	N06	108.9°	109.7°
C04	C05	H051	125.5°	125.1°
C13	C12	C11	122.9°	119.7°
C12	C13	C07	115.8°	120.2°
C13	C12	H121	118.5°	120.2°
C12	C11	C09	120.6°	120.3°
C12	C11	H111	119.7°	119.9°
C11	C12	H121	118.6°	120.1°
C13	C07	N06	107.1°	107.5°
C13	C07	C08	121.5°	119.3°
C05	N06	C07	112.2°	110.5°
N06	C05	H051	125.5°	125.2°
C05	N06	H061	123.9°	124.8°
C11	C09	C08	118.3°	120.6°
C11	C09	CL1	121.6°	119.7°
C09	C11	H111	119.7°	119.9°
N06	C07	C08	131.5°	133.2°
C07	N06	H061	123.9°	124.8°
C07	C08	C09	120.9°	119.9°
C07	C08	H081	119.5°	120.0°
C08	C09	CL1	120.1°	119.7°
C09	C08	H081	119.5°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O03	C02	O01	C04	177.0°	179.9°
O03	C02	C04	C13	7.9°	0.0°
O03	C02	C04	C05	170.3°	179.9°
O03	C02	O01	H1	0.0°	0.1°
O01	C02	C04	C13	175.3°	180.0°
O01	C02	C04	C05	6.6°	0.0°
C02	C04	C13	C05	178.3°	180.0°
C02	C04	C13	C12	0.3°	0.4°
C02	C04	C13	C07	178.2°	180.0°
C02	C04	C05	N06	178.4°	180.0°
C02	C04	C05	H051	1.6°	0.0°
C04	C02	O01	H1	177.0°	180.0°
C04	C13	C12	C07	178.4°	179.6°
C04	C13	C12	C11	179.8°	179.9°
C13	C04	C05	N06	0.2°	0.0°
C04	C13	C07	N06	0.0°	0.1°
C04	C13	C07	C08	179.8°	180.0°
C13	C04	C05	H051	179.8°	180.0°
C04	C13	C12	H121	0.2°	0.4°
C05	C04	C13	C12	178.6°	179.7°
C05	C04	C13	C07	0.1°	0.1°
C04	C05	N06	H051	180.0°	180.0°
C04	C05	N06	C07	0.2°	0.0°
C04	C05	N06	H061	179.8°	179.9°
C13	C12	C11	H121	180.0°	179.5°
C13	C12	C11	C09	0.1°	0.5°
C12	C13	C07	N06	178.9°	179.8°
C12	C13	C07	C08	1.3°	0.3°
C13	C12	C11	H111	180.0°	179.8°
C11	C12	C13	C07	1.5°	0.5°
C12	C11	C09	H111	180.0°	179.7°
C12	C11	C09	C08	1.8°	0.3°
C12	C11	C09	CL1	178.7°	179.8°
C13	C07	N06	C05	0.1°	0.0°
C13	C07	N06	C08	179.8°	180.0°
C13	C07	C08	C09	0.3°	0.0°
C13	C07	C08	H081	179.7°	180.0°
C07	C13	C12	H121	178.5°	180.0°
C13	C07	N06	H061	179.9°	180.0°
C05	N06	C07	H061	180.0°	179.9°
C05	N06	C07	C08	179.6°	180.0°
C11	C09	C08	C07	1.9°	0.0°
C11	C09	C08	CL1	179.6°	180.0°
C11	C09	C08	H081	178.1°	180.0°
C09	C11	C12	H121	179.9°	180.0°
N06	C07	C08	C09	179.4°	180.0°
C07	N06	C05	H051	179.8°	180.0°
N06	C07	C08	H081	0.6°	0.0°
C07	C08	C09	H081	180.0°	180.0°
C07	C08	C09	CL1	178.5°	180.0°
C08	C07	N06	H061	0.4°	0.1°
C08	C09	C11	H111	178.2°	180.0°
CL1	C09	C08	H081	1.5°	0.0°
CL1	C09	C11	H111	1.3°	0.0°
H051	C05	N06	H061	0.2°	0.1°
H111	C11	C12	H121	0.0°	0.2°

248335

PDB entries from 2026-01-28

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