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Summary Geometry Related PDB entries

W6A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C09	C10	doub	1.39Å	1.36Å	Aromatic
C09	C07	sing	1.37Å	1.37Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
CL08	C07	sing	1.74Å	1.76Å
C11	C12	doub	1.39Å	1.41Å	Aromatic
C07	C06	doub	1.40Å	1.38Å	Aromatic
C12	C06	sing	1.41Å	1.36Å	Aromatic
C12	N13	sing	1.38Å	1.35Å	Aromatic
C06	C05	sing	1.41Å	1.39Å	Aromatic
N13	C04	sing	1.38Å	1.29Å	Aromatic
C05	C04	doub	1.36Å	1.39Å	Aromatic
C04	C02	sing	1.47Å	1.51Å
O01	C02	doub	1.22Å	1.23Å
C02	O03	sing	1.35Å	1.24Å
C10	H101	sing	1.08Å	1.08Å
C05	H051	sing	1.08Å	1.08Å
C09	H091	sing	1.08Å	1.08Å
C11	H111	sing	1.08Å	1.08Å
N13	H131	sing	0.97Å	1.00Å
O03	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C09	C07	119.3°	120.6°
C09	C10	C11	120.6°	120.7°
C09	C10	H101	119.7°	119.7°
C10	C09	H091	120.3°	119.7°
C09	C07	CL08	119.0°	120.1°
C09	C07	C06	121.5°	119.8°
C07	C09	H091	120.3°	119.7°
C10	C11	C12	119.3°	119.8°
C11	C10	H101	119.7°	119.6°
C10	C11	H111	120.4°	120.1°
CL08	C07	C06	119.4°	120.1°
C11	C12	C06	119.5°	119.5°
C11	C12	N13	131.5°	133.2°
C12	C11	H111	120.4°	120.1°
C07	C06	C12	119.6°	119.7°
C07	C06	C05	133.8°	133.3°
C06	C12	N13	108.9°	107.4°
C12	C06	C05	106.6°	107.0°
C12	N13	C04	108.8°	108.8°
C12	N13	H131	125.6°	125.5°
C06	C05	C04	105.3°	107.7°
C06	C05	H051	127.3°	126.1°
N13	C04	C05	110.3°	109.1°
N13	C04	C02	122.0°	125.5°
C04	N13	H131	125.6°	125.7°
C05	C04	C02	127.6°	125.4°
C04	C05	H051	127.3°	126.1°
C04	C02	O01	117.4°	120.0°
C04	C02	O03	120.4°	120.0°
O01	C02	O03	122.1°	120.0°
C02	O03	H1	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C09	C07	H091	180.0°	180.0°
C09	C10	C11	H101	180.0°	179.7°
C10	C09	C07	CL08	179.4°	179.6°
C09	C10	C11	C12	3.8°	0.2°
C10	C09	C07	C06	2.6°	0.5°
C09	C10	C11	H111	176.2°	179.7°
C07	C09	C10	C11	4.6°	0.0°
C09	C07	CL08	C06	178.1°	179.9°
C09	C07	C06	C12	0.2°	0.7°
C09	C07	C06	C05	179.3°	179.9°
C07	C09	C10	H101	175.4°	179.7°
C10	C11	C12	H111	180.0°	179.9°
C10	C11	C12	C06	1.0°	0.0°
C10	C11	C12	N13	177.6°	180.0°
C11	C10	C09	H091	175.5°	180.0°
CL08	C07	C06	C12	177.8°	179.4°
CL08	C07	C06	C05	2.6°	0.0°
CL08	C07	C09	H091	0.6°	0.4°
C11	C12	C06	C07	0.9°	0.5°
C11	C12	C06	N13	178.9°	180.0°
C11	C12	C06	C05	178.7°	180.0°
C11	C12	N13	C04	178.9°	180.0°
C12	C11	C10	H101	176.2°	180.0°
C11	C12	N13	H131	1.1°	0.0°
C07	C06	C12	C05	179.6°	179.6°
C07	C06	C12	N13	179.8°	179.5°
C07	C06	C05	C04	180.0°	179.4°
C07	C06	C05	H051	0.0°	0.5°
C06	C07	C09	H091	177.4°	179.5°
C06	C12	N13	C04	0.2°	0.0°
C12	C06	C05	C04	0.5°	0.0°
C12	C06	C05	H051	179.6°	180.0°
C06	C12	C11	H111	179.0°	179.9°
C06	C12	N13	H131	179.8°	180.0°
N13	C12	C06	C05	0.2°	0.0°
C12	N13	C04	H131	180.0°	180.0°
C12	N13	C04	C05	0.5°	0.0°
C12	N13	C04	C02	179.8°	179.9°
N13	C12	C11	H111	2.4°	0.1°
C06	C05	C04	N13	0.6°	0.0°
C06	C05	C04	H051	180.0°	180.0°
C06	C05	C04	C02	179.9°	180.0°
N13	C04	C05	C02	179.3°	180.0°
N13	C04	C02	O01	16.4°	179.9°
N13	C04	C02	O03	161.4°	0.0°
N13	C04	C05	H051	179.4°	180.0°
C05	C04	C02	O01	164.4°	0.0°
C05	C04	C02	O03	17.9°	180.0°
C05	C04	N13	H131	179.5°	180.0°
C04	C02	O01	O03	177.7°	180.0°
C02	C04	C05	H051	0.1°	0.0°
C02	C04	N13	H131	0.1°	0.0°
C04	C02	O03	H1	177.7°	180.0°
O01	C02	O03	H1	0.0°	0.0°
H101	C10	C09	H091	4.6°	0.3°
H101	C10	C11	H111	3.8°	0.1°

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PDB entries from 2024-07-17

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