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Summary Geometry Related PDB entries

6SP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	sing	1.43Å	1.43Å
C2	C3	sing	1.54Å	1.53Å
C2	C6	sing	1.55Å	1.54Å
C3	N4	sing	1.48Å	1.47Å
N4	C5	sing	1.49Å	1.47Å
C5	C6	sing	1.55Å	1.53Å
O1	HO1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
N4	HN4	sing	1.01Å	1.00Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	C3	108.8°	110.3°
O1	C2	C6	109.2°	110.3°
C2	O1	HO1	109.5°	114.0°
O1	C2	H2	109.4°	110.3°
C3	C2	C6	107.2°	105.1°
C2	C3	N4	105.6°	107.1°
C3	C2	H2	111.4°	110.3°
C2	C3	H3	110.8°	109.9°
C2	C3	H3A	110.8°	109.9°
C2	C6	C5	106.9°	103.0°
C6	C2	H2	110.9°	110.4°
C2	C6	H6	110.3°	110.7°
C2	C6	H6A	110.4°	110.7°
C3	N4	C5	113.2°	105.8°
N4	C3	H3	110.8°	109.9°
N4	C3	H3A	110.8°	109.9°
C3	N4	HN4	108.2°	111.0°
N4	C5	C6	105.2°	103.2°
C5	N4	HN4	108.3°	111.0°
N4	C5	H5	110.9°	110.7°
N4	C5	H5A	110.9°	110.6°
C6	C5	H5	110.9°	110.7°
C6	C5	H5A	110.9°	110.7°
C5	C6	H6	110.4°	110.7°
C5	C6	H6A	110.3°	110.7°
H3	C3	H3A	108.1°	110.0°
H5	C5	H5A	108.0°	110.7°
H6	C6	H6A	108.6°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C3	C6	118.0°	118.9°
O1	C2	C3	H2	120.6°	122.1°
O1	C2	C6	H2	120.6°	122.1°
O1	C2	C3	N4	111.4°	120.1°
O1	C2	C6	C5	104.8°	96.9°
O1	C2	C3	H3	8.6°	0.8°
O1	C2	C3	H3A	128.6°	120.5°
O1	C2	C6	H6	135.2°	144.7°
O1	C2	C6	H6A	15.2°	21.4°
C3	C2	C6	H2	121.7°	119.0°
C2	C3	N4	H3	120.0°	119.4°
C2	C3	N4	H3A	120.0°	119.3°
C2	C3	N4	C5	2.6°	25.3°
C3	C2	C6	C5	12.9°	22.0°
C3	C2	O1	HO1	180.0°	61.4°
C2	C3	H3	H3A	121.6°	121.1°
C2	C3	N4	HN4	122.6°	145.8°
C3	C2	C6	H6	107.1°	96.4°
C3	C2	C6	H6A	132.9°	140.3°
C6	C2	C3	N4	6.6°	1.2°
C2	C6	C5	N4	14.1°	37.4°
C2	C6	C5	H6	120.0°	118.4°
C2	C6	C5	H6A	120.0°	118.3°
C6	C2	O1	HO1	63.3°	177.1°
C6	C2	C3	H3	126.6°	118.2°
C6	C2	C3	H3A	113.5°	120.6°
C2	C6	C5	H5	105.9°	81.0°
C2	C6	C5	H5A	134.1°	155.8°
C2	C6	H6	H6A	121.1°	123.3°
C3	N4	C5	HN4	120.0°	120.5°
C3	N4	C5	C6	10.5°	39.2°
N4	C3	C2	H2	128.0°	117.8°
N4	C3	H3	H3A	121.6°	121.2°
C3	N4	C5	H5	109.5°	79.3°
C3	N4	C5	H5A	130.5°	157.6°
N4	C5	C6	H5	120.0°	118.4°
N4	C5	C6	H5A	120.0°	118.4°
C5	N4	C3	H3	117.5°	94.0°
C5	N4	C3	H3A	122.6°	144.7°
N4	C5	H5	H5A	121.7°	123.0°
N4	C5	C6	H6	105.9°	81.0°
N4	C5	C6	H6A	134.1°	155.8°
C5	C6	C2	H2	134.6°	140.9°
C6	C5	N4	HN4	130.5°	159.7°
C6	C5	H5	H5A	121.7°	123.2°
C5	C6	H6	H6A	121.0°	123.2°
HO1	O1	C2	H2	58.2°	60.7°
H2	C2	C3	H3	112.0°	122.8°
H2	C2	C3	H3A	8.0°	1.6°
H2	C2	C6	H6	14.6°	22.6°
H2	C2	C6	H6A	105.4°	100.7°
H3	C3	N4	HN4	2.5°	26.5°
H3A	C3	N4	HN4	117.4°	94.8°
HN4	N4	C5	H5	10.5°	41.3°
HN4	N4	C5	H5A	109.5°	81.8°
H5	C5	C6	H6	134.1°	160.6°
H5	C5	C6	H6A	14.1°	37.3°
H5A	C5	C6	H6	14.1°	37.4°
H5A	C5	C6	H6A	105.9°	85.8°

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