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Summary Geometry Related PDB entries

01O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	doub	1.31Å	1.35Å
N	H	sing	0.97Å	1.00Å
C	N1	sing	1.38Å	1.34Å
C	C1	sing	1.47Å	1.47Å
N1	H11A	sing	0.97Å	1.00Å
N1	H12	sing	0.97Å	1.00Å
C1	N2	sing	1.37Å	1.39Å	Aromatic
C1	C4	doub	1.37Å	1.37Å	Aromatic
N2	C2	sing	1.47Å	1.48Å
N2	C3	sing	1.36Å	1.35Å	Aromatic
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C2	H23	sing	1.09Å	1.10Å
C3	C5	doub	1.35Å	1.35Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	sing	1.40Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	sing	1.51Å	1.52Å
C6	N3	sing	1.47Å	1.49Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
N3	HN3	sing	1.01Å	1.00Å
N3	H2	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	H	112.0°	120.1°
N	C	N1	119.7°	120.1°
N	C	C1	120.8°	120.0°
N1	C	C1	119.5°	120.0°
C	N1	H11A	120.0°	120.0°
C	N1	H12	120.0°	120.1°
C	C1	N2	127.7°	126.1°
C	C1	C4	125.0°	126.1°
H11A	N1	H12	120.0°	120.0°
N2	C1	C4	107.3°	107.7°
C1	N2	C2	127.5°	125.7°
C1	N2	C3	108.1°	108.6°
C1	C4	C5	107.5°	107.3°
C1	C4	H4	126.2°	126.3°
C2	N2	C3	124.4°	125.6°
N2	C2	H21	109.5°	109.4°
N2	C2	H22	109.5°	109.5°
N2	C2	H23	109.5°	109.4°
N2	C3	C5	109.3°	108.5°
N2	C3	H3	125.4°	125.7°
H21	C2	H22	109.4°	109.5°
H21	C2	H23	109.5°	109.4°
H22	C2	H23	109.5°	109.5°
C5	C3	H3	125.4°	125.8°
C3	C5	C4	107.8°	107.8°
C3	C5	C6	126.1°	126.1°
C5	C4	H4	126.2°	126.3°
C4	C5	C6	126.1°	126.1°
C5	C6	N3	109.9°	109.4°
C5	C6	H61	109.3°	109.5°
C5	C6	H62	109.3°	109.5°
N3	C6	H61	109.3°	109.5°
N3	C6	H62	109.3°	109.4°
C6	N3	HN3	109.5°	111.0°
C6	N3	H2	109.4°	110.9°
H61	C6	H62	109.6°	109.5°
HN3	N3	H2	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	N1	C1	179.1°	179.9°
N	C	N1	H11A	179.1°	12.1°
N	C	N1	H12	0.9°	167.9°
N	C	C1	N2	19.0°	178.7°
N	C	C1	C4	161.1°	1.6°
H	N	C	N1	179.1°	180.0°
H	N	C	C1	0.0°	0.1°
C	N1	H11A	H12	180.0°	180.0°
N1	C	C1	N2	161.9°	1.3°
N1	C	C1	C4	17.9°	178.4°
C1	C	N1	H11A	0.0°	167.9°
C1	C	N1	H12	180.0°	12.2°
C	C1	N2	C4	179.9°	179.7°
C	C1	N2	C2	0.0°	0.1°
C	C1	N2	C3	180.0°	179.9°
C	C1	C4	C5	180.0°	179.9°
C	C1	C4	H4	0.0°	0.0°
C1	N2	C2	C3	180.0°	179.9°
C1	N2	C2	H21	180.0°	83.3°
C1	N2	C2	H22	60.0°	156.7°
C1	N2	C2	H23	60.0°	36.6°
C1	N2	C3	C5	0.1°	0.0°
C1	N2	C3	H3	179.8°	179.9°
N2	C1	C4	C5	0.1°	0.3°
N2	C1	C4	H4	179.9°	179.7°
C4	C1	N2	C2	179.9°	179.8°
C4	C1	N2	C3	0.1°	0.2°
C1	C4	C5	C3	0.0°	0.3°
C1	C4	C5	H4	180.0°	179.9°
C1	C4	C5	C6	179.7°	179.8°
N2	C2	H21	H22	120.0°	120.1°
N2	C2	H21	H23	120.0°	119.9°
N2	C2	H22	H23	120.0°	120.0°
C2	N2	C3	C5	179.9°	180.0°
C2	N2	C3	H3	0.2°	0.0°
C3	N2	C2	H21	0.0°	96.8°
C3	N2	C2	H22	120.0°	23.3°
C3	N2	C2	H23	120.0°	143.3°
N2	C3	C5	H3	180.0°	179.9°
N2	C3	C5	C4	0.1°	0.2°
N2	C3	C5	C6	179.6°	180.0°
H21	C2	H22	H23	120.0°	120.0°
C3	C5	C4	C6	179.7°	179.8°
C3	C5	C4	H4	180.0°	179.7°
C3	C5	C6	N3	69.9°	90.0°
C3	C5	C6	H61	50.1°	150.0°
C3	C5	C6	H62	170.1°	29.9°
H3	C3	C5	C4	179.9°	179.9°
H3	C3	C5	C6	0.4°	0.0°
C4	C5	C6	N3	109.7°	89.8°
C4	C5	C6	H61	130.3°	30.2°
C4	C5	C6	H62	10.3°	150.3°
H4	C4	C5	C6	0.3°	0.1°
C5	C6	N3	H61	120.0°	120.0°
C5	C6	N3	H62	120.0°	120.0°
C5	C6	H61	H62	119.8°	120.1°
C5	C6	N3	HN3	180.0°	56.1°
C5	C6	N3	H2	60.0°	180.0°
N3	C6	H61	H62	119.8°	120.0°
C6	N3	HN3	H2	120.0°	123.9°
H61	C6	N3	HN3	60.0°	63.9°
H61	C6	N3	H2	180.0°	60.0°
H62	C6	N3	HN3	60.0°	176.1°
H62	C6	N3	H2	60.0°	60.0°

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