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Summary Geometry Related PDB entries

LG5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.40Å
C1	C6	doub	1.33Å	1.39Å
C1	H1	sing	1.08Å	1.08Å
C2	N3	sing	1.47Å	1.36Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
N3	C4	sing	1.40Å	1.35Å
N3	C7	sing	1.47Å	1.45Å
C4	C5	doub	1.35Å	1.40Å
C4	H4	sing	1.08Å	1.08Å
C5	C6	sing	1.47Å	1.39Å
C5	N8	sing	1.41Å	1.38Å
C6	H6	sing	1.08Å	1.08Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C7	H73	sing	1.09Å	1.10Å
N8	HN81	sing	0.97Å	1.00Å
N8	HN82	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	120.6°	120.0°
C2	C1	H1	119.7°	119.9°
C1	C2	N3	118.5°	109.0°
C1	C2	H21	104.5°	109.6°
C1	C2	H22	106.6°	109.6°
C6	C1	H1	119.7°	120.0°
C1	C6	C5	119.2°	120.1°
C1	C6	H6	120.4°	120.0°
N3	C2	H21	104.4°	109.6°
N3	C2	H22	106.6°	109.5°
C2	N3	C4	122.1°	118.6°
C2	N3	C7	120.9°	120.7°
H21	C2	H22	116.9°	109.6°
C4	N3	C7	116.9°	120.7°
N3	C4	C5	120.2°	118.3°
N3	C4	H4	119.9°	121.0°
N3	C7	H71	109.5°	109.4°
N3	C7	H72	109.4°	109.5°
N3	C7	H73	109.5°	109.5°
C5	C4	H4	119.9°	120.7°
C4	C5	C6	119.2°	119.3°
C4	C5	N8	120.2°	120.3°
C6	C5	N8	120.6°	120.4°
C5	C6	H6	120.4°	119.9°
C5	N8	HN81	109.5°	120.0°
C5	N8	HN82	109.5°	120.0°
H71	C7	H72	109.5°	109.5°
H71	C7	H73	109.4°	109.5°
H72	C7	H73	109.5°	109.5°
HN81	N8	HN82	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	180.0°
C1	C2	N3	H21	115.7°	119.9°
C1	C2	N3	H22	120.0°	119.9°
C1	C2	H21	H22	117.5°	120.2°
C1	C2	N3	C4	3.3°	44.3°
C1	C2	N3	C7	177.7°	135.9°
C2	C1	C6	C5	2.0°	0.3°
C2	C1	C6	H6	178.0°	179.7°
C6	C1	C2	N3	2.9°	28.1°
C6	C1	C2	H21	118.5°	148.0°
C6	C1	C2	H22	117.1°	91.7°
C1	C6	C5	C4	1.5°	15.7°
C1	C6	C5	H6	180.0°	179.9°
C1	C6	C5	N8	179.6°	164.1°
H1	C1	C2	N3	177.2°	151.9°
H1	C1	C2	H21	61.5°	32.0°
H1	C1	C2	H22	62.8°	88.3°
H1	C1	C6	C5	178.0°	179.7°
H1	C1	C6	H6	2.0°	0.3°
N3	C2	H21	H22	117.4°	120.2°
C2	N3	C4	C7	179.0°	179.8°
C2	N3	C4	C5	2.9°	31.8°
C2	N3	C4	H4	177.1°	148.6°
C2	N3	C7	H71	179.8°	90.0°
C2	N3	C7	H72	60.1°	150.0°
C2	N3	C7	H73	59.9°	30.0°
H21	C2	N3	C4	119.0°	164.2°
H21	C2	N3	C7	62.0°	16.0°
H22	C2	N3	C4	116.7°	75.6°
H22	C2	N3	C7	62.3°	104.2°
N3	C4	C5	H4	180.0°	179.6°
N3	C4	C5	C6	1.9°	0.2°
N3	C4	C5	N8	179.9°	180.0°
C4	N3	C7	H71	0.8°	90.3°
C4	N3	C7	H72	120.9°	29.7°
C4	N3	C7	H73	119.1°	149.7°
C7	N3	C4	C5	178.1°	148.4°
C7	N3	C4	H4	1.9°	31.2°
N3	C7	H71	H72	120.0°	120.0°
N3	C7	H71	H73	120.0°	120.0°
N3	C7	H72	H73	120.0°	120.0°
C4	C5	C6	N8	178.1°	179.8°
C4	C5	C6	H6	178.5°	164.3°
C4	C5	N8	HN81	85.1°	179.8°
C4	C5	N8	HN82	34.9°	0.2°
H4	C4	C5	C6	178.1°	179.8°
H4	C4	C5	N8	0.0°	0.4°
C6	C5	N8	HN81	96.8°	0.0°
C6	C5	N8	HN82	143.2°	180.0°
N8	C5	C6	H6	0.4°	15.9°
C5	N8	HN81	HN82	120.0°	179.9°
H71	C7	H72	H73	120.0°	120.1°

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