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Summary Geometry Related PDB entries

1HN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8A	C1	doub	1.41Å	1.48Å	Aromatic
C1	C2	sing	1.39Å	1.48Å	Aromatic
C1	O1	sing	1.35Å	1.37Å
O1	HO1	sing	0.97Å	0.95Å
C3	C2	doub	1.41Å	1.40Å	Aromatic
C2	C9	sing	1.47Å	1.49Å
C9	O2	doub	1.22Å	1.27Å
C4	C3	sing	1.36Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C9	O3	sing	1.35Å	1.27Å
O3	HO3	sing	0.97Å	0.95Å
C4A	C4	doub	1.41Å	1.39Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C6	C5	doub	1.36Å	1.41Å	Aromatic
C5	C4A	sing	1.40Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C7	sing	1.39Å	1.41Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	C8	doub	1.36Å	1.40Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C8A	sing	1.40Å	1.40Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C4A	C8A	sing	1.42Å	1.50Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8A	C1	C2	115.8°	119.3°
C8A	C1	O1	123.2°	120.3°
C1	C8A	C8	121.5°	121.2°
C1	C8A	C4A	118.5°	119.4°
C2	C1	O1	121.0°	120.4°
C1	C2	C3	122.0°	120.4°
C1	C2	C9	118.0°	119.8°
C1	O1	HO1	109.5°	114.0°
C3	C2	C9	120.0°	119.8°
C2	C3	C4	122.6°	120.9°
C2	C3	H3	118.7°	119.5°
C2	C9	O2	116.3°	120.0°
C2	C9	O3	118.1°	120.0°
O2	C9	O3	125.6°	120.1°
C4	C3	H3	118.7°	119.5°
C3	C4	C4A	119.9°	120.2°
C3	C4	H4	120.0°	119.9°
C9	O3	HO3	109.5°	116.9°
C4A	C4	H4	120.1°	119.9°
C4	C4A	C5	120.3°	121.0°
C4	C4A	C8A	121.1°	119.7°
C6	C5	C4A	119.4°	119.7°
C6	C5	H5	120.3°	120.1°
C5	C6	C7	121.6°	121.0°
C5	C6	H6	119.2°	119.5°
C4A	C5	H5	120.3°	120.2°
C5	C4A	C8A	118.6°	119.3°
C7	C6	H6	119.2°	119.5°
C6	C7	C8	121.4°	120.9°
C6	C7	H7	119.3°	119.5°
C8	C7	H7	119.3°	119.6°
C7	C8	C8A	119.1°	119.7°
C7	C8	H8	120.5°	120.2°
C8A	C8	H8	120.5°	120.1°
C8	C8A	C4A	119.9°	119.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8A	C1	C2	O1	179.3°	179.7°
C8A	C1	O1	HO1	180.0°	90.3°
C8A	C1	C2	C3	0.1°	0.3°
C8A	C1	C2	C9	179.9°	179.8°
C1	C8A	C4A	C4	1.2°	0.5°
C1	C8A	C4A	C5	178.7°	179.7°
C1	C8A	C8	C7	179.2°	179.1°
C1	C8A	C8	C4A	179.1°	179.8°
C1	C8A	C8	H8	0.8°	0.1°
C2	C1	O1	HO1	0.8°	90.0°
C1	C2	C3	C9	179.8°	179.9°
C1	C2	C9	O2	178.5°	0.0°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	H3	179.9°	179.9°
C1	C2	C9	O3	2.0°	179.9°
C2	C1	C8A	C8	179.7°	179.7°
C2	C1	C8A	C4A	0.6°	0.6°
O1	C1	C2	C3	179.3°	180.0°
O1	C1	C2	C9	0.8°	0.1°
O1	C1	C8A	C8	1.0°	0.0°
O1	C1	C8A	C4A	179.9°	179.7°
C3	C2	C9	O2	1.6°	180.0°
C2	C3	C4	H3	180.0°	179.9°
C3	C2	C9	O3	177.8°	0.0°
C2	C3	C4	C4A	0.5°	0.0°
C2	C3	C4	H4	179.5°	179.9°
C2	C9	O2	O3	179.4°	180.0°
C9	C2	C3	C4	179.8°	179.9°
C9	C2	C3	H3	0.2°	0.0°
C2	C9	O3	HO3	179.4°	180.0°
O2	C9	O3	HO3	0.0°	0.1°
C3	C4	C4A	H4	180.0°	179.9°
C3	C4	C4A	C5	178.8°	180.0°
C3	C4	C4A	C8A	1.1°	0.3°
H3	C3	C4	C4A	179.5°	179.9°
H3	C3	C4	H4	0.4°	0.0°
C4	C4A	C5	C6	178.8°	180.0°
C4	C4A	C5	C8A	179.9°	179.7°
C4	C4A	C5	H5	1.2°	0.0°
C4	C4A	C8A	C8	179.7°	179.7°
H4	C4	C4A	C5	1.2°	0.1°
H4	C4	C4A	C8A	178.9°	179.8°
C6	C5	C4A	H5	180.0°	180.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	1.4°	0.6°
C5	C6	C7	H7	178.7°	180.0°
C6	C5	C4A	C8A	1.3°	0.3°
C4A	C5	C6	C7	1.8°	0.0°
C4A	C5	C6	H6	178.2°	180.0°
C5	C4A	C8A	C8	0.4°	0.1°
H5	C5	C6	C7	178.2°	180.0°
H5	C5	C6	H6	1.8°	0.0°
H5	C5	C4A	C8A	178.7°	179.7°
C6	C7	C8	H7	180.0°	179.4°
C6	C7	C8	C8A	0.4°	1.0°
C6	C7	C8	H8	179.6°	179.9°
H6	C6	C7	C8	178.7°	179.4°
H6	C6	C7	H7	1.3°	0.0°
C7	C8	C8A	H8	180.0°	179.0°
C7	C8	C8A	C4A	0.1°	0.7°
H7	C7	C8	C8A	179.6°	179.7°
H7	C7	C8	H8	0.4°	0.7°
H8	C8	C8A	C4A	179.9°	179.7°

224201

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