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Summary Geometry Related PDB entries

A1H40

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C13	doub	1.21Å	1.27Å
N05	N03	sing	1.41Å	1.35Å	Aromatic
N05	N06	doub	1.29Å	1.32Å	Aromatic
O02	C13	sing	1.35Å	1.26Å
N03	C08	sing	1.36Å	1.36Å	Aromatic
C13	C09	sing	1.48Å	1.53Å
N06	N04	sing	1.28Å	1.35Å	Aromatic
C10	C09	doub	1.39Å	1.35Å	Aromatic
C10	C07	sing	1.39Å	1.36Å	Aromatic
C08	N04	doub	1.32Å	1.36Å	Aromatic
C08	C07	sing	1.48Å	1.50Å
C09	C12	sing	1.40Å	1.39Å	Aromatic
C07	C11	doub	1.40Å	1.37Å	Aromatic
C12	C14	doub	1.38Å	1.39Å	Aromatic
C11	C14	sing	1.38Å	1.38Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
N03	H5	sing	0.97Å	1.00Å
O02	H6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C13	O02	119.9°	120.0°
O01	C13	C09	116.1°	120.0°
N03	N05	N06	108.3°	106.9°
N05	N03	C08	106.9°	105.1°
N05	N03	H5	126.5°	127.4°
N05	N06	N04	110.3°	110.4°
O02	C13	C09	124.0°	120.0°
C13	O02	H6	109.5°	117.0°
N03	C08	N04	109.0°	107.1°
N03	C08	C07	121.9°	126.4°
C08	N03	H5	126.6°	127.5°
C13	C09	C10	112.6°	120.1°
C13	C09	C12	129.0°	120.1°
N06	N04	C08	105.5°	110.5°
C09	C10	C07	120.1°	119.7°
C10	C09	C12	118.2°	119.9°
C09	C10	H1	120.0°	120.2°
C10	C07	C08	108.0°	120.1°
C10	C07	C11	123.2°	119.9°
C07	C10	H1	120.0°	120.1°
N04	C08	C07	128.9°	126.4°
C08	C07	C11	128.8°	120.1°
C09	C12	C14	121.6°	120.1°
C09	C12	H3	119.2°	120.0°
C07	C11	C14	117.7°	120.2°
C07	C11	H2	121.1°	119.9°
C12	C14	C11	119.2°	120.3°
C14	C12	H3	119.2°	119.9°
C12	C14	H4	120.4°	119.8°
C14	C11	H2	121.2°	119.9°
C11	C14	H4	120.4°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C13	O02	C09	179.3°	180.0°
O01	C13	C09	C10	43.7°	0.7°
O01	C13	C09	C12	133.0°	180.0°
O01	C13	O02	H6	0.0°	0.0°
N05	N03	C08	H5	180.0°	180.0°
N03	N05	N06	N04	0.3°	0.4°
N05	N03	C08	N04	2.2°	0.0°
N05	N03	C08	C07	177.2°	179.8°
N06	N05	N03	C08	1.5°	0.2°
N05	N06	N04	C08	1.0°	0.4°
N06	N05	N03	H5	178.5°	179.7°
O02	C13	C09	C10	136.9°	179.3°
O02	C13	C09	C12	46.4°	0.0°
N03	C08	N04	N06	2.0°	0.2°
N03	C08	C07	C10	35.6°	179.4°
N03	C08	N04	C07	174.5°	179.7°
N03	C08	C07	C11	146.2°	0.2°
C13	C09	C10	C12	177.1°	179.3°
C13	C09	C10	C07	178.8°	179.7°
C13	C09	C12	C14	178.3°	180.0°
C13	C09	C10	H1	1.2°	0.2°
C13	C09	C12	H3	1.7°	0.8°
C09	C13	O02	H6	179.3°	180.0°
N06	N04	C08	C07	176.5°	180.0°
C09	C10	C07	H1	180.0°	180.0°
C09	C10	C07	C08	179.9°	179.7°
C09	C10	C07	C11	1.5°	0.0°
C10	C09	C12	C14	1.8°	0.8°
C10	C09	C12	H3	178.3°	180.0°
C10	C07	C08	N04	138.4°	0.3°
C10	C07	C08	C11	178.2°	179.7°
C07	C10	C09	C12	1.7°	0.5°
C10	C07	C11	C14	1.2°	0.3°
C10	C07	C11	H2	178.8°	179.7°
N04	C08	C07	C11	39.9°	179.9°
N04	C08	N03	H5	177.8°	180.0°
C08	C07	C11	C14	179.2°	180.0°
C08	C07	C10	H1	0.1°	0.3°
C08	C07	C11	H2	0.8°	0.1°
C07	C08	N03	H5	2.8°	0.3°
C09	C12	C14	H3	180.0°	179.2°
C09	C12	C14	C11	1.5°	0.5°
C12	C09	C10	H1	178.3°	179.5°
C09	C12	C14	H4	178.5°	179.5°
C07	C11	C14	C12	1.1°	0.0°
C07	C11	C14	H2	180.0°	180.0°
C11	C07	C10	H1	178.5°	180.0°
C07	C11	C14	H4	178.9°	180.0°
C12	C14	C11	H4	180.0°	180.0°
C12	C14	C11	H2	178.9°	180.0°
C11	C14	C12	H3	178.5°	179.7°
H2	C11	C14	H4	1.2°	0.0°
H3	C12	C14	H4	1.5°	0.3°

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